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2020 – today
- 2024
[j5]Till Siebenmorgen
, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radoslaw Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian J. Theis, Michael Sattler, Grzegorz M. Popowicz:
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nat. Comput. Sci. 4(5): 367-378 (2024)- 2022
- [j4]Zhonghua Xia, Pavel Karpov, Grzegorz M. Popowicz, Michael Sattler, Igor V. Tetko:
What Features of Ligands Are Relevant to the Opening of Cryptic Pockets in Drug Targets? Informatics 9(1): 8 (2022) - [j3]Filipe Menezes, Grzegorz M. Popowicz:
ULYSSES: An Efficient and Easy to Use Semiempirical Library for C++. J. Chem. Inf. Model. 62(16): 3685-3694 (2022) - 2021
- [j2]Roberto Fino, Dominik Lenhart, Vishal C. Kalel, Charlotte A. Softley, Valeria Napolitano, Ryan Byrne, Wolfgang Schliebs, Maciej Dawidowski, Ralf Erdmann, Michael Sattler, Gisbert Schneider, Oliver Plettenburg, Grzegorz M. Popowicz:
Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2, 3, 4, 5-Tetrahydrobenzo[F][1, 4]oxazepines as Potential New Trypanocidal Agents. J. Chem. Inf. Model. 61(10): 5256-5268 (2021) - 2020
- [j1]Zhonghua Xia, Pavel Karpov, Grzegorz M. Popowicz, Igor V. Tetko:
Focused Library Generator: case of Mdmx inhibitors. J. Comput. Aided Mol. Des. 34(7): 769-782 (2020)
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