124 results on '"Fiorucci, Sébastien"'
Search Results
2. Reverse chemical ecology in a moth: machine learning on odorant receptors identifies new behaviorally active agonists
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Caballero-Vidal, Gabriela, Bouysset, Cédric, Gévar, Jérémy, Mbouzid, Hayat, Nara, Céline, Delaroche, Julie, Golebiowski, Jérôme, Montagné, Nicolas, Fiorucci, Sébastien, and Jacquin-Joly, Emmanuelle
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- 2021
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3. ProLIF: a library to encode molecular interactions as fingerprints
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Bouysset, Cédric and Fiorucci, Sébastien
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- 2021
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4. Zebrafish olfactory receptors ORAs differentially detect bile acids and bile salts
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Cong, Xiaojing, Zheng, Qian, Ren, Wenwen, Chéron, Jean-Baptiste, Fiorucci, Sébastien, Wen, Tieqiao, Zhang, Chunbo, Yu, Hongmeng, Golebiowski, Jérôme, and Yu, Yiqun
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- 2019
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5. Bornyl-diphosphate synthase from Lavandula angustifolia: A major monoterpene synthase involved in essential oil quality
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Despinasse, Yolande, Fiorucci, Sébastien, Antonczak, Serge, Moja, Sandrine, Bony, Aurélie, Nicolè, Florence, Baudino, Sylvie, Magnard, Jean-Louis, and Jullien, Frédéric
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- 2017
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6. Machine learning decodes chemical features to identify novel agonists of a moth odorant receptor
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Caballero-Vidal, Gabriela, Bouysset, Cédric, Grunig, Hubert, Fiorucci, Sébastien, Montagné, Nicolas, Golebiowski, Jérôme, and Jacquin-Joly, Emmanuelle
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- 2020
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7. Citronellol biosynthesis in pelargonium is a multistep pathway involving progesterone 5β-reductase and/or iridoid synthase-like enzymes.
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Martinelli, Laure, Bihanic, Camille, Bony, Aurélie, Gros, Florence, Conart, Corentin, Fiorucci, Sébastien, Casabianca, Hervé, Schiets, Frédéric, Chietera, Giorgiana, Boachon, Benoît, Blerot, Bernard, Baudino, Sylvie, Jullien, Frédéric, and Saint-Marcoux, Denis
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- 2024
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8. M2OR: a database of olfactory receptor–odorant pairs for understanding the molecular mechanisms of olfaction.
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Lalis, Maxence, Hladiš, Matej, Khalil, Samar Abi, Briand, Loïc, Fiorucci, Sébastien, and Topin, Jérémie
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- 2024
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9. Mere end lugtesans - COVID-19 er associeret med svær påvirkning af lugtesansen, smagssansen og mundfølelsen
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Parma, Valentina, Ohla, Kathrin, Veldhuizen, Maria G, Niv, Masha Y, Kelly, Christine E, Bakke, Alyssa J, Cooper, Keiland W, Bouysset, Cédric, Pirastu, Nicola, Dibattista, Michele, Kaur, Rishemjit, Liuzza, Marco Tullio, Pepino, Marta Y, Schöpf, Veronika, Pereda-Loth, Veronica, Olsson, Shannon B, Gerkin, Richard C, Rohlfs Domínguez, Paloma, Albayay, Javier, Farruggia, Michael C, Bhutani, Surabhi, Fjaeldstad, Alexander W, Kumar, Ritesh, Menini, Anna, Bensafi, Moustafa, Sandell, Mari, Konstantinidis, Iordanis, Di Pizio, Antonella, Genovese, Federica, Öztürk, Lina, Thomas-Danguin, Thierry, Frasnelli, Johannes, Boesveldt, Sanne, Saatci, Özlem, Saraiva, Luis R, Lin, Cailu, Golebiowski, Jérôme, Hwang, Liang-Dar, Ozdener, Mehmet Hakan, Guàrdia, Maria Dolors, Laudamiel, Christophe, Ritchie, Marina, Havlícek, Jan, Pierron, Denis, Roura, Eugeni, Navarro, Marta, Nolden, Alissa A, Lim, Juyun, Whitcroft, Katherine L, Colquitt, Lauren R, Ferdenzi, Camille, Brindha, Evelyn V, Altundag, Aytug, Macchi, Alberto, Nunez-Parra, Alexia, Patel, Zara M, Fiorucci, Sébastien, Philpott, Carl M, Smith, Barry C, Lundström, Johan N, Mucignat, Carla, Parker, Jane K, van den Brink, Mirjam, Schmuker, Michael, Fischmeister, Florian Ph S, Heinbockel, Thomas, Shields, Vonnie D C, Faraji, Farhoud, Santamaría, Enrique, Fredborg, William E A, Morini, Gabriella, Olofsson, Jonas K, Jalessi, Maryam, Karni, Noam, D’Errico, Anna, Alizadeh, Rafieh, Pellegrino, Robert, Meyer, Pablo, Huart, Caroline, Chen, Ben, Soler, Graciela M, Alwashahi, Mohammed K, Welge-Lüssen, Antje, Freiherr, Jessica, de Groot, Jasper H B, Klein, Hadar, Okamoto, Masako, Singh, Preet Bano, Hsieh, Julien W, Abdulrahman, Olagunju, Dalton, Pamela, Yan, Carol H, Voznessenskaya, Vera V, Chen, Jingguo, Sell, Elizabeth A, Walsh-Messinger, Julie, Archer, Nicholas S, Koyama, Sachiko, Deary, Vincent, Roberts, S Craig, Yanık, Hüseyin, Albayrak, Samet, Nováková, Lenka Martinec, Croijmans, Ilja, Mazal, Patricia Portillo, Moein, Shima T, Margulis, Eitan, Mignot, Coralie, Mariño, Sajidxa, Georgiev, Dejan, Kaushik, Pavan K, Malnic, Bettina, Wang, Hong, Seyed-Allaei, Shima, Yoluk, Nur, Razzaghi-Asl, Sara, Justice, Jeb M, Restrepo, Diego, Reed, Danielle R, Hummel, Thomas, Munger, Steven D, Hayes, John E, Indústries Alimentàries, Qualitat i Tecnologia Alimentària, Tecnologia Alimentària, Temple University [Philadelphia], Pennsylvania Commonwealth System of Higher Education (PCSHE), Forschungszentrum Jülich GmbH | Centre de recherche de Juliers, Helmholtz-Gemeinschaft = Helmholtz Association, Mersin University, The Hebrew University of Jerusalem (HUJ), AbScent, Pennsylvania State University (Penn State), Penn State System, University of California [Irvine] (UC Irvine), University of California (UC), Université Côte d'Azur (UCA), University of Edinburgh, Università degli studi di Bari Aldo Moro = University of Bari Aldo Moro (UNIBA), Central Scientific Instruments Organisation (CSIR), Università degli Studi 'Magna Graecia' di Catanzaro = University of Catanzaro (UMG), University of Illinois at Urbana-Champaign [Urbana], University of Illinois System, Medizinische Universität Wien = Medical University of Vienna, Groupement scientifique de Biologie et de Medecine Spatiale (GSBMS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National d'Études Spatiales [Toulouse] (CNES), Tata Institute for Fundamental Research (TIFR), Arizona State University [Tempe] (ASU), Universidad de Extremadura - University of Extremadura (UEX), Università degli Studi di Padova = University of Padua (Unipd), Yale School of Medicine [New Haven, Connecticut] (YSM), San Diego State University (SDSU), Aarhus University [Aarhus], University of Hertfordshire [Hatfield] (UH), Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), Neurosciences Sensorielles Comportement Cognition, Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Helsingin yliopisto = Helsingfors universitet = University of Helsinki, University of Turku, Aristotle University of Thessaloniki, Leibniz-Institute for Food Systems Biology at the Technical University of Munich, Monell Chemical Senses Center, Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Bourgogne Franche-Comté [COMUE] (UBFC), Université de Montréal (UdeM), Wageningen University and Research Centre (WUR), Medical Science University, Sidra Medicine [Doha, Qatar], Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (1965 - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), University of Southern Queensland (USQ), Institut de Recerca i Tecnologia Agroalimentàries = Institute of Agrifood Research and Technology (IRTA), DreamAir Llc, Charles University [Prague] (CU), Anthropologie Moléculaire et Imagerie de Synthèse (AMIS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), University of Massachusetts System (UMASS), Oregon State University (OSU), Ear Institute, UCL, Lyon Neuroscience Research center, Karunya University, Biruni University, Assi Sette Llaghi Varese, Stanford School of Medicine [Stanford], Stanford Medicine, Stanford University-Stanford University, University of East Anglia [Norwich] (UEA), California Department of Food and Agriculture (CDFA), Unité mixte de recherche interactions plantes-microorganismes, Institut National de la Recherche Agronomique (INRA)-Université Toulouse III - Paul Sabatier (UT3), Maastricht University [Maastricht], Institute for Biology - Neurobiology, Freie Universität Berlin, Karl-Franzens-Universität Graz, Howard University College of Medicine, Towson University, University of California [San Diego] (UC San Diego), Proteomics, Center for Applied Medical Research (CIMA), Stockholm University, University of Gastronomic Sciences, Iran University of Medical Sciences, Goethe Universität Frankfurt, University of Tennessee, IBM T.J. Watson Research Center, Université libre de Bruxelles (ULB), Guangzhou Medical University, Buenos Aires University and GEOG (Grupo de Estudio de Olfato y Gusto), Sultan Qaboos University (SQU), Federal University of Technology of Akure (FUTA), A.N. Severtsov Institute of Ecology and Evolution, Russian Academy of Sciences [Moscow] (RAS), Hospital of Xi'an Jiaotong University, University of Pennsylvania, University of Dayton, CSIRO Agriculture and Food (CSIRO), Indiana University [Bloomington], Indiana University System, University of Northumbria at Newcastle [United Kingdom], University of Stirling, Middle East Technical University [Ankara] (METU), Utrecht University [Utrecht], Instituto Universitario del Hospital Italiano [Buenos Aires, Argentina], Institute for Research in Fundamental Sciences [Tehran] (IPM), Hebrew University of Jerusalem, Technische Universität Dresden = Dresden University of Technology (TU Dresden), Terrazas del Club Hipico, University Medical Centre Ljubljana [Ljubljana, Slovenia] (UMCL), Tata Institute of Fundamental Research [Bangalore], Universidade de São Paulo = University of São Paulo (USP), University of Florida [Gainesville] (UF), University of Colorado Anschutz [Aurora], Center for Smell and Taste, Department of Food Science, Pennsylvania State University., Julien, Sabine, Tıp Fakültesi, UCL - SSS/IONS/NEUR - Clinical Neuroscience, UCL - (SLuc) Service d'oto-rhino-laryngologie, Department of Food and Nutrition, Senses and Food, Research Center Jülich, University of California [Irvine] (UCI), University of California, Università degli studi di Bari Aldo Moro (UNIBA), Università degli Studi 'Magna Graecia' di Catanzaro [Catanzaro, Italie] (UMG), University of Extremadura, University of Padova, Yale University School of Medicine, Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, University of Helsinki, Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Institute of Agrifood Research and Technology (IRTA), Universita degli Studi di Padova, Centre National de la Recherche Scientifique (CNRS)-Institut National de la Recherche Agronomique (INRA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Karl-Franzens-Universität [Graz, Autriche], University of California San Diego Health, University of Brussels, University of Pennsylvania [Philadelphia], Tata Institute of Fundamental Research, University of São Paulo (USP), UCL - SSS/IONS - Institute of NeuroScience, FSE Campus Venlo, and RS: FSE UCV
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Male ,Taste ,Physiology ,Smagstab ,Audiology ,AcademicSubjects/SCI01180 ,Settore BIO/09 - Fisiologia ,Behavioral Neuroscience ,chemistry.chemical_compound ,Olfaction Disorders ,Taste Disorders ,0302 clinical medicine ,RATINGS ,Hyposmia ,Surveys and Questionnaires ,CHEMOSENSITIVITY ,[SDV.IDA]Life Sciences [q-bio]/Food engineering ,Viral ,PALADAR ,030223 otorhinolaryngology ,Sensory Science and Eating Behaviour ,media_common ,TASTE ,US NATIONAL-HEALTH ,[SDV.IDA] Life Sciences [q-bio]/Food engineering ,Middle Aged ,Biological Sciences ,16. Peace & justice ,Sensory Systems ,3. Good health ,Smell ,GCCR Group Author ,ddc:540 ,Smell loss ,Female ,Original Article ,medicine.symptom ,Corrigendum ,Coronavirus Infections ,olfaction ,Adult ,somatosensation ,medicine.medical_specialty ,663/664 ,Coronavirus disease 2019 (COVID-19) ,OLFACTORY DISORDERS ,Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ,media_common.quotation_subject ,Pneumonia, Viral ,head and neck surgery ,Aged ,Betacoronavirus ,COVID-19 ,Humans ,Pandemics ,SARS-CoV-2 ,Self Report ,Somatosensory Disorders ,Young Adult ,Anosmia ,Sensory system ,Olfaction ,03 medical and health sciences ,Chemesthesis ,Physiology (medical) ,Perception ,medicine ,Neurology & Neurosurgery ,Behaviour Change and Well-being ,business.industry ,R-PACKAGE ,3112 Neurosciences ,Pneumonia ,Parosmia ,COMPONENT ,Smagssans ,[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition ,Sensoriek en eetgedrag ,chemistry ,Lugtetab ,business ,[SDV.AEN]Life Sciences [q-bio]/Food and Nutrition ,030217 neurology & neurosurgery ,Lugtesans - Abstract
Correction: Chemical Senses, Volume 46, 2021, bjab050, https://doi.org/10.1093/chemse/bjab050 Published: 08 December 2021 Recent anecdotal and scientific reports have provided evidence of a link between COVID-19 and chemosensory impairments, such as anosmia. However, these reports have downplayed or failed to distinguish potential effects on taste, ignored chemesthesis, and generally lacked quantitative measurements. Here, we report the development, implementation, and initial results of a multilingual, international questionnaire to assess self-reported quantity and quality of perception in 3 distinct chemosensory modalities (smell, taste, and chemesthesis) before and during COVID-19. In the first 11 days after questionnaire launch, 4039 participants (2913 women, 1118 men, and 8 others, aged 19-79) reported a COVID-19 diagnosis either via laboratory tests or clinical assessment. Importantly, smell, taste, and chemesthetic function were each significantly reduced compared to their status before the disease. Difference scores (maximum possible change +/- 100) revealed a mean reduction of smell (-79.7 +/- 28.7, mean +/- standard deviation), taste (-69.0 +/- 32.6), and chemesthetic (-37.3 +/- 36.2) function during COVID-19. Qualitative changes in olfactory ability (parosmia and phantosmia) were relatively rare and correlated with smell loss. Importantly, perceived nasal obstruction did not account for smell loss. Furthermore, chemosensory impairments were similar between participants in the laboratory test and clinical assessment groups. These results show that COVID-19-associated chemosensory impairment is not limited to smell but also affects taste and chemesthesis.The multimodal impact of COVID-19 and the lack of perceived nasal obstruction suggest that severe acute respiratory syndrome coronavirus strain 2 (SARS-CoV-2) infection may disrupt sensory-neural mechanisms.
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- 2020
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10. Trace amine associated receptors (TAARs) response to amines are largely affected by sequences variants
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Pacalon, Jody, Belloir, Christine, Fiorucci, Sébastien, Briand, Loïc, Topin, Jérémie, and Julien, Sabine
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[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology - Abstract
The Trace Amine Associated Receptors (TAARs) are a family of chemosensory receptors that recognize volatile amines. These receptors are few in number and highly conserved, compared to regular olfactory receptors. Polymorphisms in the TAAR family can have a drastic impact on our perception of amine compounds. Our study combine numerical simulations with in vitro experiments to reveal the activation mechanisms of the human TAAR5 receptor. The study focused on the hTAAR5-S95P polymorphism, which is found at high frequency in Nordic countries. This mutation affects the perception of trimethylamine (TMA), making individuals less able to perceive the smell of rotten fish caused by this molecule. The study's 3D model captures the inability of the hTAAR5-S95P variant to be activated by TMA in vitro, as well as the activation of the receptor by different agonists. Long-scale molecular dynamics simulations were used to study the system bound to ligands with different efficacies, providing insight into the features of a prototypical active state of G protein-coupled receptors. The study has identified two specific features of the TAAR family that are responsible for the altered perception of TMA in individuals with this polymorphism.
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- 2022
11. Structure-based virtual screening of bitter taste receptors
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Lalis, Maxence, Belloir, Christine, Topin, Jérémie, Briand, Loïc, Fiorucci, Sébastien, and Julien, Sabine
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[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology - Abstract
Understanding how chemicals code for a certain type of taste is fundamental for the development of a rational method to create new taste modulators. The identification of these new candidates is important for the food industry and would also be beneficial for the pharmacology industry. In humans, the bitter taste depends on a large family of 25 taste receptors type 2 (TAS2Rs) belonging to the G protein-coupled receptor (GPCR) family. They are classified distantly related to class A GPCR and, to date, the experimental structures have not been determined for any TAS2Rs. Here we present a new structure-based virtual screening strategy to expand the chemical space of bitter taste receptors. Combining molecular modeling (based on a recent general approach for modeling all mammal TAS2Rs1) and in vitro functional assays, we identified new active compounds as activators of human TAS2R14. Such agonists will be of broad interest beyond food science since TAS2Rs are ectopically expressed in other parts of the human body besides the tongue.
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- 2022
12. Numerical models contribute to expand the sweet taste chemical space
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Bouysset, Cédric, Belloir, Christine, Antonczak, Serge, Briand, Loïc, Fiorucci, Sébastien, and FIORUCCI, Sébastien
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[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[STAT.ML] Statistics [stat]/Machine Learning [stat.ML] ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Published
- 2021
13. Exploiting Antigenic Diversity for Vaccine Design: THE CHLAMYDIA ArtJ PARADIGM
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Soriani, Marco, Petit, Pierre, Grifantini, Renata, Petracca, Roberto, Gancitano, Giovanni, Frigimelica, Elisabetta, Nardelli, Filomena, Garcia, Christel, Spinelli, Silvia, Scarabelli, Guido, Fiorucci, Sebastien, Affentranger, Roman, Ferrer-Navarro, Mario, Zacharias, Martin, Colombo, Giorgio, Vuillard, Laurent, Daura, Xavier, and Grandi, Guido
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- 2010
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14. Prediction of Protein-Protein Interaction Sites Using Electrostatic Desolvation Profiles
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Fiorucci, Sébastien and Zacharias, Martin
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- 2010
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15. Isolation and functional characterization of a τ-cadinol synthase, a new sesquiterpene synthase from Lavandula angustifolia
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Jullien, Frédéric, Moja, Sandrine, Bony, Aurélie, Legrand, Sylvain, Petit, Cécile, Benabdelkader, Tarek, Poirot, Kévin, Fiorucci, Sébastien, Guitton, Yann, Nicolè, Florence, Baudino, Sylvie, and Magnard, Jean-Louis
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- 2014
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16. Reverse chemical ecology expands the list of ligands for a crop pest insect odorant receptor
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Caballero-Vidal, Gabriela, Bouysset, Cédric, Fiorucci, Sébastien, Montagné, Nicolas, Golebiowski, Jerôme, Jacquin-Joly, Emmanuelle, Institut d'Ecologie et des Sciences de l'Environnement de Paris, Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Recherche pour le Développement (IRD [France-Ouest])-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Ecole Normale Supérieure Paris-Saclay (ENS Paris Saclay), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), FIORUCCI, Sébastien, and Université Nice Sophia Antipolis (1965 - 2019) (UNS)
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[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics - Abstract
International audience
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- 2019
17. Exploring the odor space of Spodoptera littoralis larvae
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Caballero-Vidal, Gabriela, Bouysset, Cédric, Fiorucci, Sébastien, Golebiowski, Jerôme, Meslin, Camille, Monsempes, Christelle, François, M.C., Montagné, Nicolas, Jacquin-Joly, Emmanuelle, Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris), Institut National de la Recherche Agronomique (INRA)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), Physiologie de la reproduction et des comportements [Nouzilly] (PRC), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur]-Université de Tours-Centre National de la Recherche Scientifique (CNRS), Institut d'écologie et des sciences de l'environnement de Paris (iEES), Centre National de la Recherche Scientifique (CNRS)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut National de la Recherche Agronomique (INRA), Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris ), Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut d'Ecologie et des Sciences de l'Environnement de Paris, Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Recherche pour le Développement (IRD [France-Ouest])-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Ecole Normale Supérieure Paris-Saclay (ENS Paris Saclay), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur]-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), FIORUCCI, Sébastien, Université Nice Sophia Antipolis (1965 - 2019) (UNS), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur] (IFCE)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), and Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)
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[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
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- 2019
18. Mechanism of GPCR activation triggered by ligands, mutations and protonation
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Cong, Xiaojing, Chéron, Jean-Baptiste, Antonczak, Serge, Fiorucci, Sébastien, Golebiowski, Jerôme, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), GGMM, and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2019
19. Modèle numérique des relations structure-saveur
- Author
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Bouysset, Cédric, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), GGMM, and FIORUCCI, Sébastien
- Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2019
20. Artificial intelligence models predict chemosensory percepts
- Author
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Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and FIORUCCI, Sébastien
- Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2019
21. Molecular insights into the structure-function relationships of bitter taste receptors
- Author
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Bouysset, Cédric, Topin, Jérémie, Wang, Yi, Jiang, Peihua, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and Monell Chemical Senses Center
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics - Abstract
International audience
- Published
- 2020
- Full Text
- View/download PDF
22. Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations.
- Author
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Diharce, Julien, Bignon, Emmanuelle, Fiorucci, Sébastien, and Antonczak, Serge
- Published
- 2022
- Full Text
- View/download PDF
23. More than smell - COVID-19 is associated with severe impairment of smell, taste, and chemesthesis
- Author
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Kumar, Ritesh, Menini, Anna, Bensafi, Moustafa, Sandell, Mari, Konstantinidis, Iordanis, Pizio, Antonella di, Genovese, Federica, Öztürk, Lina, Thomas-Danguin, Thierry, Frasnelli, Johannes, Boesveldt, Sanne, Saatci, Özlem, Saraiva, Luis R., Lin, Cailu, Golebiowski, Jérôme, Hwang, Liang-Dar, Ozdener, Mehmet Hakan, Guárdia, Maria Dolors, Laudamiel, Christophe, Ritchie, Marina, Havlícek, Jan, Pierron, Denis, Roura, Eugeni, Navarro, Marta, Nolden, Alissa A., Lim, Juyun, Whitcroft, K.L., Colquitt, Lauren R., Ferdenzi, Camille, Brindha, Evelyn V., Altundag, Aytug, Macchi, Alberto, Nunez-Parra, Alexia, Patel, Zara M., Fiorucci, Sébastien, Philpott, Carl M., Smith, Barry C., Lundström, Johan N., Mucignat, Carla, Parker, Jane K., Brink, Mirjam van den, Schmuker, Michael, Fischmeister, Florian P.S., Heinbockel, Thomas, Schilds, Vonnie D.C., Faraji, Farhoud, Santamaría, Enrique, Fredborg, William E.A., Morini, Gabriella, Olofsson, Jonas K., Jalessi, Maryam, Karni, Noam, D'Errico, Anna, Alizadeh, Rafieh, Pellegrino, Robert, Meyer, Pablo, Huart, Caroline, Chen, Ben, Soler, Graciela M., Alwashahi, Mohanned K., Welge-Lüssen, Antje, Freiherr, Jessica, Groot, Jasper H.B. de, Klein, Hadar, Okamoto, Masako, Singh, Preet Bano, Hsieh, Julien W., Reed, Danielle R., Hummel, Thomas, Munger, Steven D., Hayes, John E., and Publica
- Abstract
Recent anecdotal and scientific reports have provided evidence of a link between COVID-19 and chemosensory impairments, such as anosmia. However, these reports have downplayed or failed to distinguish potential effects on taste, ignored chemesthesis, and generally lacked quantitative measurements. Here, we report the development, implementation, and initial results of a multilingual, international questionnaire to assess self-reported quantity and quality of perception in 3 distinct chemosensory modalities (smell, taste, and chemesthesis) before and during COVID-19. In the first 11 days after questionnaire launch, 4039 participants (2913 women, 1118 men, and 8 others, aged 19-79) reported a COVID-19 diagnosis either via laboratory tests or clinical assessment. Importantly, smell, taste, and chemesthetic function were each significantly reduced compared to their status before the disease. Difference scores (maximum possible change ±100) revealed a mean reduction of smell (−79.7 ± 28.7, mean ± standard deviation), taste (−69.0 ± 32.6), and chemesthetic (−37.3 ± 36.2) function during COVID-19. Qualitative changes in olfactory ability (parosmia and phantosmia) were relatively rare and correlated with smell loss. Importantly, perceived nasal obstruction did not account for smell loss. Furthermore, chemosensory impairments were similar between participants in the laboratory test and clinical assessment groups. These results show that COVID-19-associated chemosensory impairment is not limited to smell but also affects taste and chemesthesis. The multimodal impact of COVID-19 and the lack of perceived nasal obstruction suggest that severe acute respiratory syndrome coronavirus strain 2 (SARS-CoV-2) infection may disrupt sensory-neural mechanisms.
- Published
- 2020
24. Sweet taste receptor: from sequence to structure
- Author
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Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), SFC PACA, and FIORUCCI, Sébastien
- Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2016
25. Etude de relations structure-activité du récepteur au goût sucré
- Author
-
Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), SFCI, and FIORUCCI, Sébastien
- Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2015
26. Description théorique d'un phénomène de 'substrate channeling' dans la biosynthèse de flavonoïdes
- Author
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Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM]Chemical Sciences ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics - Abstract
International audience
- Published
- 2015
27. Natural Sweeteners
- Author
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Chéron, Jean-Baptiste, Marchal, Axel, and Fiorucci, Sébastien
- Published
- 2016
- Full Text
- View/download PDF
28. Modelling of a metabolon involved in Flavonoid biosynthesis
- Author
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Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM]Chemical Sciences ,[CHIM.CATA]Chemical Sciences/Catalysis ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2014
29. The anatomy of mammalian sweet taste receptors
- Author
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Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics - Abstract
International audience
- Published
- 2016
30. Structure-function of Odorant and Sweet-taste Recept.ors Based on Molecular Modeling
- Author
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Golebiowski, Jerôme, de March, Claire A., Chéron, Jean-Baptiste, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[CHIM.CHEM]Chemical Sciences/Cheminformatics - Abstract
International audience
- Published
- 2016
31. Modelling of a metabolon involved in flavonoid biosynthesis: theoretical strategies
- Author
-
Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2014
32. Theoretical strategies for the modelling of a metabolon involved in flavonoid biosynthesis
- Author
-
Diharce, Julien, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM]Chemical Sciences ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2013
33. Deciphering the odorant binding protein-olfactory receptor interactions
- Author
-
Viano, Marilyne, Kim, Kyung Sook, Goddard, William A., de March, Claire A., Golebiowski, Jerôme, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and California Institute of Technology (CALTECH)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2015
34. Allosteric Modulation Mechanism of the mGluR5 Transmembrane Domain.
- Author
-
Xiaojing Cong, Chéron, Jean-Baptiste, Golebiowski, Jérôme, Antonczak, Serge, and Fiorucci, Sébastien
- Published
- 2019
- Full Text
- View/download PDF
35. Metal Ions Activate the Human Taste Receptor TAS2R7.
- Author
-
Wang, Yi, Zajac, Amanda L, Lei, Weiwei, Christensen, Carol M, Margolskee, Robert F, Bouysset, Cédric, Golebiowski, Jérôme, Zhao, Huabin, Fiorucci, Sébastien, and Jiang, Peihua
- Abstract
Divalent and trivalent salts exhibit a complex taste profile. They are perceived as being astringent/drying, sour, bitter, and metallic. We hypothesized that human bitter-taste receptors may mediate some taste attributes of these salts. Using a cell-based functional assay, we found that TAS2R7 responds to a broad range of divalent and trivalent salts, including zinc, calcium, magnesium, copper, manganese, and aluminum, but not to potassium, suggesting TAS2R7 may act as a metal cation receptor mediating bitterness of divalent and trivalent salts. Molecular modeling and mutagenesis analysis identified 2 residues, H94
3.37 and E2647.32 , in TAS2R7 that appear to be responsible for the interaction of TAS2R7 with metallic ions. Taste receptors are found in both oral and extraoral tissues. The responsiveness of TAS2R7 to various mineral salts suggests it may act as a broad sensor, similar to the calcium-sensing receptor, for biologically relevant metal cations in both oral and extraoral tissues. [ABSTRACT FROM AUTHOR]- Published
- 2019
- Full Text
- View/download PDF
36. Conserved Residues Control the T1R3-Specific Allosteric Signaling Pathway of the Mammalian Sweet-Taste Receptor.
- Author
-
Chéron, Jean-Baptiste, Soohoo, Amanda, Wang, Yi, Golebiowski, Jérôme, Antonczak, Serge, Jiang, Peihua, and Fiorucci, Sébastien
- Abstract
Mammalian sensory systems detect sweet taste through the activation of a single heteromeric T1R2/T1R3 receptor belonging to class C G-protein-coupled receptors. Allosteric ligands are known to interact within the transmembrane domain, yet a complete view of receptor activation remains elusive. By combining site-directed mutagenesis with computational modeling, we investigate the structure and dynamics of the allosteric binding pocket of the T1R3 sweet-taste receptor in its apo form, and in the presence of an allosteric ligand, cyclamate. A novel positively charged residue at the extracellular loop 2 is shown to interact with the ligand. Molecular dynamics simulations capture significant differences in the behavior of a network of conserved residues with and without cyclamate, although they do not directly interact with the allosteric ligand. Structural models show that they adopt alternate conformations, associated with a conformational change in the transmembrane region. Site-directed mutagenesis confirms that these residues are unequivocally involved in the receptor function and the allosteric signaling mechanism of the sweet-taste receptor. Similar to a large portion of the transmembrane domain, they are highly conserved among mammals, suggesting an activation mechanism that is evolutionarily conserved. This work provides a structural basis for describing the dynamics of the receptor, and for the rational design of new sweet-taste modulators. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
37. Experimental and theoretical charaterization of macromolecular assemblies at low resolution
- Author
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Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and IBPC
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM] ,[SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM] ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2013
38. Mécanismes enzymatiques de la production des anthocyanes: une étude par dynamique moléculaire QM/MM de l'étape impliquant DFR
- Author
-
Diharce, Julien, Tuñón, Iñaki, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Departamento de quimica fisica, and Universitat de València (UV)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2013
39. Multiresolution approaches for modeling biomolecular complexes
- Author
-
Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2012
40. Modeling ligand-receptor interactions at the molecular level. Molecular dynamics used as a computational microscope to decipher the sense of smell
- Author
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Golebiowski, Jerôme, charlier, Landry, Topin, Jérémie, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CHEM] Chemical Sciences/Cheminformatics ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[CHIM]Chemical Sciences ,[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC] ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,[CHIM.CHEM]Chemical Sciences/Cheminformatics ,ComputingMilieux_MISCELLANEOUS ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2011
41. Chapter 96 - Molecular Features Underlying the Chemoreception of Odorant Binding Proteins and Olfactory Receptors. Insights from Molecular Modeling and Biophysical Data
- Author
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Golebiowski, Jérôme, Charlier, Landry, Topin, Jérémie, Fiorucci, Sébastien, and Antonczak, Serge
- Published
- 2014
- Full Text
- View/download PDF
42. Prediction of protein-protein interface using electrostatic profile
- Author
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Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), INRIA Sophia Antipolis Méditerranée, and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2009
43. Electrostatic profiles of targets NMB0033 and CT043
- Author
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Fiorucci, Sébastien, Zacharias, Martin, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Jacobs University [Bremen], and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.IMM] Life Sciences [q-bio]/Immunology ,[CHIM] Chemical Sciences ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.IMM]Life Sciences [q-bio]/Immunology ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2008
44. Antigen/Antibody docking improvement including hotspot and solvation energy
- Author
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Fiorucci, Sébastien, Zacharias, Martin, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Jacobs University [Bremen], and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.IMM] Life Sciences [q-bio]/Immunology ,[CHIM] Chemical Sciences ,[SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[SDV.IMM]Life Sciences [q-bio]/Immunology ,[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology ,[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] ,ComputingMilieux_MISCELLANEOUS ,[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM] - Abstract
International audience
- Published
- 2008
45. Le mécanisme d’oxygénolyse de flavonoïdes : une synergie entre enzyme et substrat
- Author
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Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2006
46. Un nouveau site d'entrée dans l'enzyme Quercetin 2,3-Dioxygénase révélé par simulations de dynamique moléculaire : un canal pour le dioxygène?
- Author
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Antonczak, Serge, Fiorucci, Sébastien, Cabrol-Bass, Daniel, Golebiowski, Jerôme, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2005
47. Oxygénolyse de flavonoïdes : Etudes DFT du cas de la quercétine
- Author
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Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM]Chemical Sciences ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2004
48. Oxygenolysis of flavonoid compounds. Theoretical mechanism description for the quercetin case
- Author
-
Antonczak, Serge, Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry ,[CHIM] Chemical Sciences ,[CHIM]Chemical Sciences ,[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM.CATA] Chemical Sciences/Catalysis ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2004
49. Enzymatic Mechanisms involving Flavonoïds: a Theoretical Point of View
- Author
-
Antonczak, Serge, Fiorucci, Sébastien, Cabrol-Bass, Daniel, Golebiowski, Jerôme, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)
- Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry ,[SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics ,[CHIM]Chemical Sciences ,[CHIM.CATA]Chemical Sciences/Catalysis ,ComputingMilieux_MISCELLANEOUS - Abstract
International audience
- Published
- 2008
50. Update of the ATTRACT force field for the prediction of protein-protein binding affinity.
- Author
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Chéron, Jean‐Baptiste, Zacharias, Martin, Antonczak, Serge, and Fiorucci, Sébastien
- Subjects
PROTEIN-protein interactions ,MOLECULAR structure ,MOLECULAR docking ,THERMODYNAMICS ,MOLECULAR force constants - Abstract
Determining the protein-protein interactions is still a major challenge for molecular biology. Docking protocols has come of age in predicting the structure of macromolecular complexes. However, they still lack accuracy to estimate the binding affinities, the thermodynamic quantity that drives the formation of a complex. Here, an updated version of the protein-protein ATTRACT force field aiming at predicting experimental binding affinities is reported. It has been designed on a dataset of 218 protein-protein complexes. The correlation between the experimental and predicted affinities reaches 0.6, outperforming most of the available protocols. Focusing on a subset of rigid and flexible complexes, the performance raises to 0.76 and 0.69, respectively. © 2017 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
- View/download PDF
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