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1. Impact of COVID-19 on Health Seeking Behavior of Patients with Chronic Disease at Public Hospitals in Jimma Zone, South West Ethiopia

Author: Awel S, Ahmed I, Tilahun D, and Tegenu K
Subjects: covid-19, health seeking behavior, chronic disease, ethiopia, Public aspects of medicine, RA1-1270
Abstract: Samira Awel, Ismael Ahmed, Desalew Tilahun, Kenenisa Tegenu School of Nursing, College of Health Science, Institute of Health, Jimma University, Jimma, EthiopiaCorrespondence: Samira Awel, School of Nursing, College of Health Science, Institute of Health, Jimma University, P.O. Box 378, Jimma, Ethiopia, Tel +251 921918489, Email sawel791@gmail.comBackground: COVID-19 is a global pandemic with unprecedented medical, economic and social consequences affecting nations across the world. This epidemic arises while chronic diseases are continued to be a public health concern. Though evidence is generated on its impact on the health care system, little is known about the Impact of COVID − 19 on the care-seeking behavior of chronic patients.Objective: To assess the Impact of COVID-19 on healthcare-seeking behavior of patients with chronic diseases attending follow-up at public hospitals in Jimma zone, South West Ethiopia.Methods: Facility-based cross-sectional study design was employed. The sample was calculated using the single population proportion formula. Hospitals were selected by using simple random sampling. Then, the final calculated sample size for the study was proportionally allocated to each selected hospital. Data were collected from 400 participants through face-to-face interviews and card reviews. Data were entered into Epi-Data version 3.1 and then exported to SPSS version 23 for analysis. Binary and multivariable logistic regression analyses with 95% CI for odds ratio (OR) were used to identify significant factors.Results: Of the total respondents 156 (39.0%) of them had poor health-seeking behavior. Contact history with COVID − 19 patient (AOR = 2.8; 95% CI = 1.1– 7.0), perceived moderate depression (AOR = 2.3; 95% CI = 1.2– 4.2), perceived extreme depression (AOR = 4.3; 95% CI = 1.8– 10.5), shortage of medication (AOR = 2.4; 95% CI = 1.0– 6.2) increases the odds of poor health-seeking behavior. In addition, the odds of poor health-seeking in patients with no formal education were higher compared to patients with higher educational status (AOR = 2.7; 95% CI = 1.0– 9.0).Conclusion: COVID − 19 outbreaks affected the health-seeking behavior of patients with chronic diseases. The impact was found to be more significant among patients who had a contact history with COVID − 19 patients. Moreover, perceived depression, shortage of medication, and low educational status were significant predictors of poor health-seeking behavior. Therefore, working on the barriers to the health-seeking behavior of chronic patients may reduce the effect of COVID-19.Keywords: COVID-19, health-seeking behavior, chronic disease, Ethiopia
Published: 2022

2. Delay in Seeking Institutional Delivery Service Utilization and Associated Factors Among Mothers Attending Jimma Medical Center, Jimma, Ethiopia

Author: Awel S, Bagilkar VV, and Fekecha B
Subjects: delay in seeking, institutional delivery service, ethiopia, Public aspects of medicine, RA1-1270
Abstract: Samira Awel, Vinod V Bagilkar, Bekana Fekecha School of Nursing and Midwifery, College of Health Science, Institute of Health, Jimma University, Jimma, EthiopiaCorrespondence: Samira AwelSchool of Nursing and Midwifery, College of Health Science, Institute of Health, Jimma University, P.O. Box: 378, Jimma, EthiopiaTel +251 921918489Email sawel791@gmail.comBackground: Pregnancy and childbirth-related complications are unpredictable; however, it is preventable by timely care-seeking to obstetric care service.Objective: To assess delay in seeking institutional delivery service utilization and associated factors among mothers attending Jimma medical center, Southwest Ethiopia.Methods: Facility-based cross-sectional study design was employed. The sample size was determined by a single population proportion formula. Data were collected from 405 mothers by face-to-face interview and entered using epi-data version 3.1, then exported to SPSS version 23 for analysis. Binary and multivariable logistic regression analysis with 95% CI for odds ratio (OR) was used to identify significant factors.Results: The prevalence of delay in seeking institutional delivery service utilization was 189 (46.7%). Husbands’ educational status was found to be significantly associated with a maternal delay in seeking care, (AOR= 4.9; 95% CI=2.1– 11.3). Unemployed mothers and mothers with a low income had shown higher odds of delay (AOR= 6.0; 95% CI=1.7– 21.2), (AOR=2.1; 95% CI=1.2– 3.7) respectively. Similarly, mothers who live > 10 kilometers from health facility delayed about 2times, (AOR=1.8; 95% CI= 1.0– 3.2). Moreover, the likelihood of mothers with no antenatal care follow-up was found to have higher delay than mothers who have antenatal care follow-up (AOR =2.8; 95% CI =1.1– 6.7).Conclusion: Delay in seeking institutional delivery service was high. Factors such as the husband’s educational status, distance from the health facility, income, Antenatal care follow-up, and occupation of the mother were found significant factors of delay in seeking care. Therefore, it is important to reduce delay in seeking care for institutional delivery service utilization by working on barriers, plus empowering women, promoting antenatal care, and education.Keywords: delay in seeking, institutional delivery service, Ethiopia
Published: 2021

3. Analysis of Laboratory Experimental Tests on Mixed Oil Disposal (Bilge) from Ships Based on Marpol Annex I: A Case Study of Port of Tanjung Mas Semarang and Port of Tegal

Author: Awel, S., primary and Fuad, A. R., additional
Published: 2023
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4. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author: Zhuang, Y, Awel, S, Barty, A, Bean, R, Bielecki, J, Bergemann, M, Daurer, BJ, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Luebke, J, Mall, A, Michelat, T, Morgan, AJ, Roth, N, Samanta, AK, Sato, T, Shen, Z, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Xavier, PL, Yefanov, O, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, Ayyer, K, Zhuang, Y, Awel, S, Barty, A, Bean, R, Bielecki, J, Bergemann, M, Daurer, BJ, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Luebke, J, Mall, A, Michelat, T, Morgan, AJ, Roth, N, Samanta, AK, Sato, T, Shen, Z, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Xavier, PL, Yefanov, O, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, and Ayyer, K
Abstract: One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand-maximize-compress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.
Published: 2022

5. Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Author: Zhuang, Y., Awel, S., Barty, A., Bean, R., Bielecki, J., Bergemann, M., Daurer, B.J., Ekeberg, T., Estillore, A.D., Fangohr, H., Giewekemeyer, K., Hunter, M.S., Karnevskiy, M., Kirian, R.A., Kirkwood, H., Kim, Y., Koliyadu, J., Lange, H, Letrun, R., Lubke, J., Mall, A., Michelat, T., Morgan, A.J., Roth, N., Samanta, A.K., Sato, T., Shen, Z., Sikorski, M., Schulz, F., Spence, J.C.H., Vagovic, P., Wollweber, T., Worbs, L., Xavier, P.L., Yefanov, O., Maia, F.R.N.C., Horke, D.A., Kupper, J., Loh, N.D., Mancuso, A.P., Chapman, H.N., Ayyer, K., Zhuang, Y., Awel, S., Barty, A., Bean, R., Bielecki, J., Bergemann, M., Daurer, B.J., Ekeberg, T., Estillore, A.D., Fangohr, H., Giewekemeyer, K., Hunter, M.S., Karnevskiy, M., Kirian, R.A., Kirkwood, H., Kim, Y., Koliyadu, J., Lange, H, Letrun, R., Lubke, J., Mall, A., Michelat, T., Morgan, A.J., Roth, N., Samanta, A.K., Sato, T., Shen, Z., Sikorski, M., Schulz, F., Spence, J.C.H., Vagovic, P., Wollweber, T., Worbs, L., Xavier, P.L., Yefanov, O., Maia, F.R.N.C., Horke, D.A., Kupper, J., Loh, N.D., Mancuso, A.P., Chapman, H.N., and Ayyer, K.
Abstract: Contains fulltext : 282411.pdf (Publisher’s version ) (Open Access)
Published: 2022

6. Business service modeling using SOA: a core component of business architecture.

Author: Fantahun A. Zikie, Awel S. Dico, and Dida M. Debela
Published: 2012
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7. Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde

Author: Srinivasan, V., primary, Werner, N., additional, Falke, S., additional, Guenther, S., additional, Reinke, P., additional, Brognaro, H., additional, Ullah, N., additional, Andaleeb, H., additional, Perbandt, M., additional, Alves Franca, B., additional, Schwinzer, M., additional, Wang, M., additional, Ewert, W., additional, Sprenger, J., additional, Lieske, J., additional, Koua, F., additional, Ginn, H., additional, Lane, T.J., additional, Wolf, M., additional, Yefanov, O., additional, Gelisio, L., additional, Saouane, S., additional, Tolstikova, A., additional, Groessler, M., additional, Fleckenstein, H., additional, Trost, F., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Schmidt, C., additional, Brings, L., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Perk, A., additional, Awel, S., additional, Wahab, A., additional, Choudary, I., additional, Turk, D., additional, Hinrichs, W., additional, Chapman, H.N., additional, Meents, A., additional, and Betzel, C., additional
Published: 2021
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8. Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester

Author: Srinivasan, V., primary, Ewert, W., additional, Werner, N., additional, Falke, S., additional, Guenther, S., additional, Reinke, P., additional, Sprenger, J., additional, Brognaro, H., additional, Ullah, N., additional, Andaleeb, H., additional, Perbandt, M., additional, Alves Franca, B., additional, Schwinzer, M., additional, Wang, M., additional, Wolf, M., additional, Lieske, J., additional, Koua, F., additional, Ginn, H., additional, Lane, T.J., additional, Yefanov, O., additional, Gelisio, L., additional, Hakanpaeae, J., additional, Saouane, S., additional, Tolstikova, A., additional, Groessler, M., additional, Fleckenstein, H., additional, Trost, F., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Schmidt, C., additional, Brings, L., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Perk, A., additional, Awel, S., additional, Wahab, A., additional, Choudary, I., additional, Turk, D., additional, Hinrichs, W., additional, Chapman, H.N., additional, Meents, A., additional, and Betzel, C., additional
Published: 2021
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9. Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol

Author: Srinivasan, V., primary, Werner, N., additional, Falke, S., additional, Guenther, S., additional, Reinke, P., additional, Ewert, W., additional, Sprenger, J., additional, Koua, F., additional, Brognaro, H., additional, Ullah, N., additional, Andaleeb, H., additional, Perbandt, M., additional, Alves Franca, B., additional, Schwinzer, M., additional, Wang, M., additional, Lieske, J., additional, Ginn, H., additional, Lane, T.J., additional, Yefanov, O., additional, Gelisio, L., additional, Hakanpaeae, J., additional, Saouane, S., additional, Tolstikova, A., additional, Groessler, M., additional, Fleckenstein, H., additional, Trost, F., additional, Wolf, M., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Schmidt, C., additional, Brings, L., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Perk, A., additional, Awel, S., additional, Wahab, A., additional, Choudary, I., additional, Turk, D., additional, Hinrichs, W., additional, Chapman, H.N., additional, Meents, A., additional, and Betzel, C., additional
Published: 2021
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10. 3D diffractive imaging of nanoparticle ensembles using an x-ray laser

Author: Ayyer, K, Xavier, PL, Bielecki, J, Shen, Z, Daurer, BJ, Samanta, AK, Awel, S, Bean, R, Barty, A, Bergemann, M, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Lubke, J, Michelat, T, Morgan, AJ, Roth, N, Sato, T, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Yefanov, O, Zhuang, Y, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, Chapman, HN, Ayyer, K, Xavier, PL, Bielecki, J, Shen, Z, Daurer, BJ, Samanta, AK, Awel, S, Bean, R, Barty, A, Bergemann, M, Ekeberg, T, Estillore, AD, Fangohr, H, Giewekemeyer, K, Hunter, MS, Karnevskiy, M, Kirian, RA, Kirkwood, H, Kim, Y, Koliyadu, J, Lange, H, Letrun, R, Lubke, J, Michelat, T, Morgan, AJ, Roth, N, Sato, T, Sikorski, M, Schulz, F, Spence, JCH, Vagovic, P, Wollweber, T, Worbs, L, Yefanov, O, Zhuang, Y, Maia, FRNC, Horke, DA, Kuepper, J, Loh, ND, Mancuso, AP, and Chapman, HN
Abstract: Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine the structure and dynamics of single biomolecules at room temperature. Two major hurdles have prevented this potential from being reached, namely, the collection of sufficient high-quality diffraction patterns and robust computational purification to overcome structural heterogeneity. We report the breaking of both of these barriers using gold nanoparticle test samples, recording around 10 million diffraction patterns at the European XFEL and structurally and orientationally sorting the patterns to obtain better than 3-nm-resolution 3D reconstructions for each of four samples. With these new developments, integrating advancements in x-ray sources, fast-framing detectors, efficient sample delivery, and data analysis algorithms, we illuminate the path towards sub-nanometer biomolecular imaging. The methods developed here can also be extended to characterize ensembles that are inherently diverse to obtain their full structural landscape.
Published: 2021

11. Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H.M., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashhour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Xavier, P.L., additional, Ullah, N., additional, Andaleeb, H., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Zaitsev-Doyle, J.J., additional, Rogers, C., additional, Gieseler, H., additional, Melo, D., additional, Monteiro, D.C.F., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schluenzen, F., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Sun, X., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2021
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12. Structure of SARS-CoV-2 Papain-like protease PLpro

Author: Srinivasan, V., primary, Gunther, S., additional, Reinke, P., additional, Werner, N., additional, Falke, S., additional, Brognaro, H., additional, Ullah, N., additional, Andaleeb, H., additional, Perbandt, M., additional, Alves Franca, B., additional, Schwinzer, M., additional, Wang, M., additional, Sprenger, J., additional, Lieske, J., additional, Ginn, H., additional, Lane, T.J., additional, Yefanov, O., additional, Gelisio, L., additional, Koua, F., additional, Saouane, S., additional, Tolstikova, A., additional, Groessler, M., additional, Fleckenstein, H., additional, Ewert, W., additional, Trost, F., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Schmidt, C., additional, Brings, L., additional, Ehrt, C., additional, Rarey, M., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Perk, A., additional, Awel, S., additional, Hinrichs, W., additional, Meents, A., additional, and Betzel, C., additional
Published: 2021
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13. Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2021
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14. Structure of SARS-CoV-2 Main Protease bound to Adrafinil.

Author: Ewert, W., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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15. Structure of SARS-CoV-2 Main Protease bound to LSN2463359.

Author: Ewert, W., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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16. Structure of SARS-CoV-2 Main Protease bound to RS102895

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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17. Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand

Author: Koua, F., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Ewert, W., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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18. Structure of SARS-CoV-2 Main Protease bound to Tegafur

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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19. Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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20. Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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21. Structure of SARS-CoV-2 Main Protease bound to Maleate.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Hinrichs, W., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Boger, J., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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22. Structure of SARS-CoV-2 Main Protease bound to MUT056399.

Author: Ewert, W., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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23. Structure of SARS-CoV-2 Main Protease bound to Clonidine

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
Full Text: View/download PDF

24. Structure of SARS-CoV-2 Main Protease bound to PD 168568.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Hinrichs, W., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Boger, J., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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25. Structure of apo SARS-CoV-2 Main Protease with small beta angle, space group C2.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Hinrichs, W., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Boger, J., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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26. Structure of SARS-CoV-2 Main Protease bound to TH-302.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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27. Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate.

Author: Ewert, W., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
Full Text: View/download PDF

28. Structure of SARS-CoV-2 Main Protease bound to AT7519

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Hinrichs, W., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Boger, J., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
Full Text: View/download PDF

29. Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Hinrichs, W., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Boger, J., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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30. Structure of SARS-CoV-2 Main Protease bound to Pelitinib

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Lane, T.J., additional, Dunkel, I., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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31. Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Andaleeb, H., additional, Werner, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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32. Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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33. Structure of SARS-CoV-2 Main Protease bound to AR-42.

Author: Ewert, W., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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34. Structure of SARS-CoV-2 Main Protease bound to Ifenprodil

Author: Koua, F., primary, Guenther, S., additional, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Ewert, W., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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35. Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

Author: Guenther, S., primary, Reinke, P.Y.A., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H.M., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashhour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Xavier, P.L., additional, Ullah, N., additional, Andaleeb, H., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Zaitsev-Doyle, J.J., additional, Rogers, C., additional, Gieseler, H., additional, Melo, D., additional, Monteiro, D.C.F., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schluenzen, F., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Sun, X., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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36. Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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37. Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.

Author: Guenther, S., primary, Reinke, P., additional, Oberthuer, D., additional, Yefanov, O., additional, Gelisio, L., additional, Ginn, H., additional, Lieske, J., additional, Domaracky, M., additional, Brehm, W., additional, Rahmani Mashour, A., additional, White, T.A., additional, Knoska, J., additional, Pena Esperanza, G., additional, Koua, F., additional, Tolstikova, A., additional, Groessler, M., additional, Fischer, P., additional, Hennicke, V., additional, Fleckenstein, H., additional, Trost, F., additional, Galchenkova, M., additional, Gevorkov, Y., additional, Li, C., additional, Awel, S., additional, Paulraj, L.X., additional, Ullah, N., additional, Falke, S., additional, Alves Franca, B., additional, Schwinzer, M., additional, Brognaro, H., additional, Werner, N., additional, Perbandt, M., additional, Tidow, H., additional, Seychell, B., additional, Beck, T., additional, Meier, S., additional, Doyle, J.J., additional, Giseler, H., additional, Melo, D., additional, Dunkel, I., additional, Lane, T.J., additional, Peck, A., additional, Saouane, S., additional, Hakanpaeae, J., additional, Meyer, J., additional, Noei, H., additional, Gribbon, P., additional, Ellinger, B., additional, Kuzikov, M., additional, Wolf, M., additional, Zhang, L., additional, Ehrt, C., additional, Pletzer-Zelgert, J., additional, Wollenhaupt, J., additional, Feiler, C., additional, Weiss, M., additional, Schulz, E.C., additional, Mehrabi, P., additional, Norton-Baker, B., additional, Schmidt, C., additional, Lorenzen, K., additional, Schubert, R., additional, Han, H., additional, Chari, A., additional, Fernandez Garcia, Y., additional, Turk, D., additional, Hilgenfeld, R., additional, Rarey, M., additional, Zaliani, A., additional, Chapman, H.N., additional, Pearson, A., additional, Betzel, C., additional, and Meents, A., additional
Published: 2020
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38. Pulmonary surfactant protein SP-B interacts similarly with dipalmitoylphosphatidylglycerol and dipalmitoylphosphatidylcholine in phosphatidylcholine/phosphatidylgylcerol mixtures

Author: Dico, Awel S., Hancock, Jennifer, Morrow, Michael R., Stewart, June, Harris, Scott, and Keough, Kevin M.W.
Subjects: Phospholipids -- Physiological aspects, Proteins -- Analysis, Pulmonary surfactant -- Physiological aspects, Biological sciences, Chemistry
Abstract: 2H NMR and DSC analyses were conducted in studying the effect of porcine pulmonary surfactant-associated (SP-B) on the phase behavior, chain order and dynamics in bilayers of chain-perdeuterated diplamitoylphosphatidylglycerol (DPPG-d62) and mixed bilayers made up of either 30 mol % DPPG-d62 and 70 mol % dipalmitoylphosphatidylcholine (DPPC) or 30 mol % DPPG and 70 mol % DPPC-d62. Results indicate that the interaction of SP-B with the bilayers has little effect on the amplitude of the fast chain conformational fluctuations.
Published: 1997

39. Rapid sample delivery for megahertz serial crystallography at X-ray FELs

Author: Wiedorn, MO, Awel, S, Morgan, AJ, Ayyer, K, Gevorkov, Y, Fleckenstein, H, Roth, N, Adriano, L, Bean, R, Beyerlein, KR, Chen, J, Coe, J, Cruz-Mazo, F, Ekeberg, T, Graceffa, R, Heymann, M, Horke, DA, Knoska, J, Mariani, V, Nazari, R, Oberthuer, D, Samanta, AK, Sierra, RG, Stan, CA, Yefanov, O, Rompotis, D, Correa, J, Erk, B, Treusch, R, Schulz, J, Hogue, BG, Ganan-Calvo, AM, Fromme, P, Kuepper, J, Rode, AV, Bajt, S, Kirian, RA, Chapman, HN, Wiedorn, MO, Awel, S, Morgan, AJ, Ayyer, K, Gevorkov, Y, Fleckenstein, H, Roth, N, Adriano, L, Bean, R, Beyerlein, KR, Chen, J, Coe, J, Cruz-Mazo, F, Ekeberg, T, Graceffa, R, Heymann, M, Horke, DA, Knoska, J, Mariani, V, Nazari, R, Oberthuer, D, Samanta, AK, Sierra, RG, Stan, CA, Yefanov, O, Rompotis, D, Correa, J, Erk, B, Treusch, R, Schulz, J, Hogue, BG, Ganan-Calvo, AM, Fromme, P, Kuepper, J, Rode, AV, Bajt, S, Kirian, RA, and Chapman, HN
Abstract: Liquid microjets are a common means of delivering protein crystals to the focus of X-ray free-electron lasers (FELs) for serial femtosecond crystallography measurements. The high X-ray intensity in the focus initiates an explosion of the microjet and sample. With the advent of X-ray FELs with megahertz rates, the typical velocities of these jets must be increased significantly in order to replenish the damaged material in time for the subsequent measurement with the next X-ray pulse. This work reports the results of a megahertz serial diffraction experiment at the FLASH FEL facility using 4.3 nm radiation. The operation of gas-dynamic nozzles that produce liquid microjets with velocities greater than 80 m s-1 was demonstrated. Furthermore, this article provides optical images of X-ray-induced explosions together with Bragg diffraction from protein microcrystals exposed to trains of X-ray pulses repeating at rates of up to 4.5 MHz. The results indicate the feasibility for megahertz serial crystallography measurements with hard X-rays and give guidance for the design of such experiments.
Published: 2018

40. Femtosecond X-ray diffraction from an aerosolized beam of protein nanocrystals

Author: Awel, S, Kirian, RA, Wiedorn, MO, Beyerlein, KR, Roth, N, Horke, DA, Oberthuer, D, Knoska, J, Mariani, V, Morgan, A, Adriano, L, Tolstikova, A, Xavier, PL, Yefanov, O, Aquila, A, Barty, A, Roy-Chowdhury, S, Hunter, MS, James, D, Robinson, JS, Weierstall, U, Rode, AV, Bajt, S, Kuepper, J, Chapman, HN, Awel, S, Kirian, RA, Wiedorn, MO, Beyerlein, KR, Roth, N, Horke, DA, Oberthuer, D, Knoska, J, Mariani, V, Morgan, A, Adriano, L, Tolstikova, A, Xavier, PL, Yefanov, O, Aquila, A, Barty, A, Roy-Chowdhury, S, Hunter, MS, James, D, Robinson, JS, Weierstall, U, Rode, AV, Bajt, S, Kuepper, J, and Chapman, HN
Abstract: High-resolution Bragg diffraction from aerosolized single granulovirus nanocrystals using an X-ray free-electron laser is demonstrated. The outer dimensions of the in-vacuum aerosol injector components are identical to conventional liquid-microjet nozzles used in serial diffraction experiments, which allows the injector to be utilized with standard mountings. As compared with liquid-jet injection, the X-ray scattering background is reduced by several orders of magnitude by the use of helium carrier gas rather than liquid. Such reduction is required for diffraction measurements of small macromolecular nanocrystals and single particles. High particle speeds are achieved, making the approach suitable for use at upcoming high-repetition-rate facilities.
Published: 2018

41. Mix-and-diffuse serial synchrotron crystallography

Author: Beyerlein, KR, Dierksmeyer, D, Mariani, V, Kuhn, M, Sarrou, I, Ottaviano, A, Awel, S, Knoska, J, Fuglerud, S, Jonsson, O, Stern, S, Wiedorn, MO, Yefanov, O, Adriano, L, Bean, R, Burkhardt, A, Fischer, P, Heymann, M, Horke, DA, Jungnickel, KEJ, Kovaleva, E, Lorbeer, O, Metz, M, Meyer, J, Morgan, A, Pande, K, Panneerselvam, S, Seuring, C, Tolstikova, A, Lieske, J, Aplin, S, Roessle, M, White, TA, Chapman, HN, Meents, A, Oberthuer, D, Beyerlein, KR, Dierksmeyer, D, Mariani, V, Kuhn, M, Sarrou, I, Ottaviano, A, Awel, S, Knoska, J, Fuglerud, S, Jonsson, O, Stern, S, Wiedorn, MO, Yefanov, O, Adriano, L, Bean, R, Burkhardt, A, Fischer, P, Heymann, M, Horke, DA, Jungnickel, KEJ, Kovaleva, E, Lorbeer, O, Metz, M, Meyer, J, Morgan, A, Pande, K, Panneerselvam, S, Seuring, C, Tolstikova, A, Lieske, J, Aplin, S, Roessle, M, White, TA, Chapman, HN, Meents, A, and Oberthuer, D
Abstract: Unravelling the interaction of biological macromolecules with ligands and substrates at high spatial and temporal resolution remains a major challenge in structural biology. The development of serial crystallography methods at X-ray free-electron lasers and subsequently at synchrotron light sources allows new approaches to tackle this challenge. Here, a new polyimide tape drive designed for mix-and-diffuse serial crystallography experiments is reported. The structure of lysozyme bound by the competitive inhibitor chitotriose was determined using this device in combination with microfluidic mixers. The electron densities obtained from mixing times of 2 and 50 s show clear binding of chitotriose to the enzyme at a high level of detail. The success of this approach shows the potential for high-throughput drug screening and even structural enzymology on short timescales at bright synchrotron light sources.
Published: 2017

42. Post-sample aperture for low background diffraction experiments at X-ray free-electron lasers

Author: Wiedorn, MO, Awel, S, Morgan, AJ, Barthelmess, M, Bean, R, Beyerlein, KR, Chavas, LMG, Eckerskorn, N, Fleckenstein, H, Heymann, M, Horke, DA, Knoska, J, Mariani, V, Oberthuer, D, Roth, N, Yefanov, O, Barty, A, Bajt, S, Kuepper, J, Rode, AV, Kirian, RA, Chapman, HN, Wiedorn, MO, Awel, S, Morgan, AJ, Barthelmess, M, Bean, R, Beyerlein, KR, Chavas, LMG, Eckerskorn, N, Fleckenstein, H, Heymann, M, Horke, DA, Knoska, J, Mariani, V, Oberthuer, D, Roth, N, Yefanov, O, Barty, A, Bajt, S, Kuepper, J, Rode, AV, Kirian, RA, and Chapman, HN
Abstract: The success of diffraction experiments from weakly scattering samples strongly depends on achieving an optimal signal-to-noise ratio. This is particularly important in single-particle imaging experiments where diffraction signals are typically very weak and the experiments are often accompanied by significant background scattering. A simple way to tremendously reduce background scattering by placing an aperture downstream of the sample has been developed and its application in a single-particle X-ray imaging experiment at FLASH is demonstrated. Using the concept of a post-sample aperture it was possible to reduce the background scattering levels by two orders of magnitude.
Published: 2017

43. Business service modeling using SOA

Author: Awel S. Dico, Fantahun A. Zikie, and Dida M. Debela
Subjects: Business Process Model and Notation, Knowledge management, Process modeling, Process management, Artifact-centric business process model, Business rule, business.industry, Computer science, New business development, Business architecture, Business process modeling, business, Business domain
Abstract: For Business Architecture (BA) to provide the intended benefits there should be considerable focus on the components that deliver the real architectural value. Current trends focus on the business process component of Business Architecture and tend to consider BPM as an architectural style for its modeling. As the major concern of enterprises is value creation to customers in terms of services, considering business processes as a hub mixes the concerns of service specifications and how it is provided. For Business Architecture to serve the generation of subsequent artifacts in the Enterprise Architecture (EA), we suggest that business services should be the focal point and appropriate architectural style should be adopted. This paper presents methodologies we developed adopting the SOA architectural style to model business services, and created Service Oriented Business Service Model (SOBSM) and applied it on the portfolio of business services standardized across a given enterprise ecosystem. As well, we suggest that the resulting SOBSM be used for generating the subsequent components of the EA spectrum.
Published: 2012
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44. A new way of architecting the enterprise

Author: Awel S. Dico, Nassir Dino, and Dida Midekso
Subjects: Enterprise architecture framework, Knowledge management, Process management, Enterprise architecture management, business.industry, Computer science, Applications architecture, Solution architecture, Business architecture, Enterprise architecture, View model, NIST Enterprise Architecture Model, business
Abstract: In order to enable business agility, different architectural styles for organizing information systems, business and technology have emerged. Architecture involves top-level management, the business entities in the organization down to the grass-root level views. While the values of both Service Oriented Architecture and Enterprise Architecture are emerging in industry, the IT based organizations have no clear guidance on how to use these two sets of architectural approaches together.In the same token, enterprises and architecture practitioners strongly need a reference model and guideline to legitimate, rationalize, and justify courses of action taken in their business systems architecture and design. This research work proposes a new approach referred to as Service Oriented Enterprise Architecture (SOEA) framework to address this enterprise need. SOEA framework attempts to resolve the limitations that arise when Enterprise Architecture (EA) and SOA approaches are used independently. This framework, therefore, links an SOA style with the EA process to realize and help organizations benefit from SOA effort as a key part of their Enterprise Architecture.
Published: 2012
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45. Towards Whole-of-Government EA with TOGAF and SOA

Author: Awel S. Dico
Subjects: The Open Group Architecture Framework, Process management, ComputingMethodologies_MISCELLANEOUS, Whole of government, Business
Abstract: Governments around the world have acknowledged the complexity associated with public sector transformation and have initiated enterprise architecture programs to help manage those complexities and enable the desired strategic transformation. Along with the EA program, governments have adopted some sort of EA framework and/or Service Oriented Architecture (SOA) individually or in integrated form. However, the majority of those EA programs are of limited scope in both EA and SOA practices, and are not comprehensive enough to deal with and manage the associated complexities. As a result, those EA programs suffer from the inability to leverage EA and SOA benefits across agencies or jurisdictional boundaries. Currently, the majority of government agencies use EA and SOA within the agency boundaries to deliver solutions by focusing on technical factors that define detailed blueprints of systems, data, and technology. What is needed rather is effective Whole-of-Government Enterprise Architecture (EA) that facilitates the alignment of individual agencies’ visions with the Whole-of-Government vision to enable sustainable government transformation. Research has pointed out that the Whole-of-Government EA is currently at the conceptual level and still has a long way to go to reach the maturity level required for value realization. This chapter first gives a brief analysis of the current state of enterprise architecture in governments to highlight the current challenges. It then discusses the various scopes of Whole-of-Government EA and recommends the plausible EA approach to enable sustainable connected government based on The Open Group Architecture Framework (TOGAF) and SOA.
Published: 2012
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46. Service Oriented Organizational Interoperability Architectural Framework

Author: Fantahun A. Zikie, Awel S. Dico, and Dida M. Debela
Subjects: Architecture framework, Computer science, business.industry, Interoperability, Cross-domain interoperability, Semantic interoperability, Service oriented, Software engineering, business
Published: 2011
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47. Simple convergent-nozzle aerosol injector for single-particle diffractive imaging with X-ray free-electron lasers

Author: Kirian, R. A., primary, Awel, S., additional, Eckerskorn, N., additional, Fleckenstein, H., additional, Wiedorn, M., additional, Adriano, L., additional, Bajt, S., additional, Barthelmess, M., additional, Bean, R., additional, Beyerlein, K. R., additional, Chavas, L. M. G., additional, Domaracky, M., additional, Heymann, M., additional, Horke, D. A., additional, Knoska, J., additional, Metz, M., additional, Morgan, A., additional, Oberthuer, D., additional, Roth, N., additional, Sato, T., additional, Xavier, P. L., additional, Yefanov, O., additional, Rode, A. V., additional, Küpper, J., additional, and Chapman, H. N., additional
Published: 2015
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48. Towards Whole-of-Government EA with TOGAF and SOA

Author: Dico, Awel S, primary
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49. Business service modeling using SOA

Author: Zikie, Fantahun A., primary, Dico, Awel S., additional, and Debela, Dida M., additional
Published: 2012
Full Text: View/download PDF

50. Service Oriented Organizational Interoperability Architectural Framework

Author: Zikie, Fantahun A., primary, Dico, Awel S., additional, and Debela, Dida M., additional
Published: 2012
Full Text: View/download PDF

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