Grzegorz M. Popowicz

According to our database, Grzegorz M. Popowicz authored at least 5 papers between 2020 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

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, Grzegorz M. Popowicz

Nat. Comput. Sci., May, 2024

2022

<i>ULYSSES</i>: An Efficient and Easy to Use Semiempirical Library for C++.

Filipe Menezes, Grzegorz M. Popowicz

J. Chem. Inf. Model., 2022

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

2021

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, Grzegorz M. Popowicz

J. Chem. Inf. Model., 2021

2020

Focused Library Generator: case of Mdmx inhibitors.

Zhonghua Xia, Pavel Karpov, Grzegorz M. Popowicz, Igor V. Tetko

J. Comput. Aided Mol. Des., 2020