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237 results on '"Günther, Judith"'

1. A data science roadmap for open science organizations engaged in early-stage drug discovery

Author

Edfeldt, Kristina, Edwards, Aled M., Engkvist, Ola, Günther, Judith, Hartley, Matthew, Hulcoop, David G., Leach, Andrew R., Marsden, Brian D., Menge, Amelie, Misquitta, Leonie, Müller, Susanne, Owen, Dafydd R., Schütt, Kristof T., Skelton, Nicholas, Steffen, Andreas, Tropsha, Alexander, Vernet, Erik, Wang, Yanli, Wellnitz, James, Willson, Timothy M., Clevert, Djork-Arné, Haibe-Kains, Benjamin, Schiavone, Lovisa Holmberg, and Schapira, Matthieu

Published
2024
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2. Hauterkrankungen

Author

Merk, Hans, Günther, Judith, Ludwig, Wolf-Dieter, editor, Mühlbauer, Bernd, editor, and Seifert, Roland, editor

Published
2022
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4. Best of both worlds: An expansion of the state of the art pKa model with data from three industrial partners.

Author

Fraczkiewicz, Robert, Quoc Nguyen, Huy, Wu, Newton, Kausch‐Busies, Nina, Grimbs, Sergio, Sommer, Kai, ter Laak, Antonius, Günther, Judith, Wagner, Björn, and Reutlinger, Michael

Subjects
IONIZATION constants, COSMOCHEMISTRY, CROP science, DATA modeling, FORECASTING
Abstract

In a unique collaboration between Simulations Plus and several industrial partners, we were able to develop a new version 11.0 of the previously published in silico pKa model, S+pKa, with considerably improved prediction accuracy. The model's training set was vastly expanded by large amounts of experimental data obtained from F. Hoffmann‐La Roche AG, Genentech Inc., and the Crop Science division of Bayer AG. The previous v7.0 of S+pKa was trained on data from public sources and the Pharmaceutical division of Bayer AG. The model has shown dramatic improvements in predictive accuracy when externally validated on three new contributor compound sets. Less expected was v11.0's improvement in prediction on new compounds developed at Bayer Pharma after v7.0 was released (2013–2023), even without contributing additional data to v11.0. We illustrate chemical space coverage by chemistries encountered in the five domains, public and industrial, outline model construction, and discuss factors contributing to model's success. [ABSTRACT FROM AUTHOR]

Published
2024
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5. Dermatika

Author

Merk, Hans, Günther, Judith, Ludwig, Wolf-Dieter, editor, Mühlbauer, Bernd, editor, and Seifert, Roland, editor

Published
2021
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7. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, and Ludwig, Wolf-Dieter, editor

Published
2020
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8. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2019
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10. Migränemittel

Author

Günther, Judith, Matthes, Jan, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2019
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11. Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839

Author

Bothe, Ulrich, primary, Günther, Judith, additional, Nubbemeyer, Reinhard, additional, Siebeneicher, Holger, additional, Ring, Sven, additional, Bömer, Ulf, additional, Peters, Michaele, additional, Rausch, Alexandra, additional, Denner, Karsten, additional, Himmel, Herbert, additional, Sutter, Andreas, additional, Terebesi, Ildiko, additional, Lange, Martin, additional, Wengner, Antje M., additional, Guimond, Nicolas, additional, Thaler, Tobias, additional, Platzek, Johannes, additional, Eberspächer, Uwe, additional, Schäfer, Martina, additional, Steuber, Holger, additional, Zollner, Thomas M., additional, Steinmeyer, Andreas, additional, and Schmidt, Nicole, additional

Published
2024
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15. Migränemittel

Author

Günther, Judith, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2018
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16. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2018
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17. 926 BAY 2965501: a highly selective DGK zeta inhibitor for cancer immunotherapy

Author

Offringa, Rienk, primary, Olesch, Catherine, additional, Cichon, Frederik, additional, Grees, Mareike, additional, Schmees, Norbert, additional, Roehn, Ulrike, additional, Prinz, Florian, additional, Stoeckigt, Detlef, additional, Erkelenz, Michael, additional, Uyen Nguyen, Thi Thanh, additional, Boemer, Ulf, additional, Günther, Judith, additional, Kunze, Marc, additional, Petersen, Kirstin, additional, and Kirchhoff, Dennis, additional

Published
2023
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20. Migränemittel

Author

Günther, Judith, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2017
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21. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, Paffrath, Dieter, editor, Ludwig, Wolf-Dieter, editor, and Klauber, Jürgen, editor

Published
2017
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25. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, and Paffrath, Dieter, editor

Published
2016
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26. Dermatika

Author

Günther, Judith, Fricke, Uwe, Schwabe, Ulrich, editor, and Paffrath, Dieter, editor

Published
2015
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33. Discovery of IRAK4 Inhibitors BAY1834845(Zabedosertib) and BAY1830839

Author

Bothe, Ulrich, Günther, Judith, Nubbemeyer, Reinhard, Siebeneicher, Holger, Ring, Sven, Bömer, Ulf, Peters, Michaele, Rausch, Alexandra, Denner, Karsten, Himmel, Herbert, Sutter, Andreas, Terebesi, Ildiko, Lange, Martin, Wengner, Antje M., Guimond, Nicolas, Thaler, Tobias, Platzek, Johannes, Eberspächer, Uwe, Schäfer, Martina, Steuber, Holger, Zollner, Thomas M., Steinmeyer, Andreas, and Schmidt, Nicole

Abstract

Interleukin-1 receptor-associated kinase 4 (IRAK4) plays a critical role in innate inflammatory processes. Here, we describe the discovery of two clinical candidate IRAK4 inhibitors, BAY1834845(zabedosertib) and BAY1830839, starting from a high-throughput screening hit derived from Bayer’s compound library. By exploiting binding site features distinct to IRAK4 using an in-house docking model, liabilities of the original hit could surprisingly be overcome to confer both candidates with a unique combination of good potency and selectivity. Favorable DMPK profiles and activity in animal inflammation models led to the selection of these two compounds for clinical development in patients.

Published
2024
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40. BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe

Author

Günther, Judith, primary, Hillig, Roman C., additional, Zimmermann, Katja, additional, Kaulfuss, Stefan, additional, Lemos, Clara, additional, Nguyen, Duy, additional, Rehwinkel, Hartmut, additional, Habgood, Matthew, additional, Lechner, Christian, additional, Neuhaus, Roland, additional, Ganzer, Ursula, additional, Drewes, Mark, additional, Chai, Jijie, additional, and Bouché, Léa, additional

Published
2022
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