Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket. - Malgorzata N. Drwal; Keli Agama; Yves Pommier; Renate Griffith (J. Comput. Aided Mol. Des., 2013)

ProTox: a web server for the in silico prediction of rodent oral toxicity. - Malgorzata N. Drwal; Priyanka Banerjee; Mathias Dunkel; Martin R. Wettig; Robert Preissner (Nucleic Acids Res., 2014)

Computational methods for prediction of in vitro effects of new chemical structures. - Priyanka Banerjee; Vishal B. Siramshetty; Malgorzata N. Drwal; Robert Preissner (J. Cheminformatics, 2016)

WITHDRAWN - a resource for withdrawn and discontinued drugs. - Vishal B. Siramshetty; Janette Nickel; Christian Omieczynski; Björn-Oliver Gohlke; Malgorzata N. Drwal; Robert Preissner (Nucleic Acids Res., 2016)

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? - Malgorzata N. Drwal; Célien Jacquemard; Carlos Perez; Jérémy Desaphy; Esther Kellenberger (J. Chem. Inf. Model., 2017)

Binding mode information improves fragment docking. - Célien Jacquemard; Malgorzata N. Drwal; Jérémy Desaphy; Esther Kellenberger (J. Cheminformatics, 2019)