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Journal Articles
- 2019
[j6]Célien Jacquemard, Malgorzata N. Drwal, Jérémy Desaphy, Esther Kellenberger
:
Binding mode information improves fragment docking. J. Cheminformatics 11(1): 24:1-24:15 (2019)- 2017
- [j5]Malgorzata N. Drwal, Célien Jacquemard, Carlos Perez, Jérémy Desaphy, Esther Kellenberger:
Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? J. Chem. Inf. Model. 57(5): 1197-1209 (2017) - 2016
- [j4]Priyanka Banerjee, Vishal B. Siramshetty, Malgorzata N. Drwal, Robert Preissner:
Computational methods for prediction of in vitro effects of new chemical structures. J. Cheminformatics 8(1): 51:1-51:11 (2016) - [j3]Vishal B. Siramshetty, Janette Nickel, Christian Omieczynski, Björn-Oliver Gohlke, Malgorzata N. Drwal, Robert Preissner:
WITHDRAWN - a resource for withdrawn and discontinued drugs. Nucleic Acids Res. 44(Database-Issue): 1080-1086 (2016) - 2014
- [j2]Malgorzata N. Drwal, Priyanka Banerjee, Mathias Dunkel, Martin R. Wettig, Robert Preissner:
ProTox: a web server for the in silico prediction of rodent oral toxicity. Nucleic Acids Res. 42(Webserver-Issue): 53-58 (2014) - 2013
- [j1]Malgorzata N. Drwal, Keli Agama, Yves Pommier, Renate Griffith:
Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket. J. Comput. Aided Mol. Des. 27(12): 1037-1049 (2013)
Coauthor Index
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