Focused Library Generator: case of Mdmx inhibitors. - Zhonghua Xia; Pavel Karpov; Grzegorz M. Popowicz; Igor V. Tetko (J. Comput. Aided Mol. Des., 2020)

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. - 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; et al. (J. Chem. Inf. Model., 2021)

What Features of Ligands Are Relevant to the Opening of Cryptic Pockets in Drug Targets? - Zhonghua Xia; Pavel Karpov; Grzegorz M. Popowicz; Michael Sattler; Igor V. Tetko (Informatics, 2022)

ULYSSES: An Efficient and Easy to Use Semiempirical Library for C++. - Filipe Menezes; Grzegorz M. Popowicz (J. Chem. Inf. Model., 2022)

MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. - 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; et al. (Nat. Comput. Sci., 2024)