Inhibition of DNA–Topoisomerase I by Acylated Triterpene Saponins from Pittosporum angustifolium Lodd.

av Bäcker, Christian, Drwal, Malgorzata N., Preissner, Robert, Lindequist, Ulrike
I publikationen Nat Prod Bioprospect (2016)

Binding mode information improves fragment docking

av Jacquemard, Célien, Drwal, Malgorzata N., Desaphy, Jérémy, Kellenberger, Esther
I publikationen J Cheminform (2019)

Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket

av Drwal, Malgorzata N., Agama, Keli, Pommier, Yves, Griffith, Renate
I publikationen J Comput Aided Mol Des (2013)

Computational methods for prediction of in vitro effects of new chemical structures

av Banerjee, Priyanka, Siramshetty, Vishal B., Drwal, Malgorzata N., Preissner, Robert
I publikationen J Cheminform (2016)

ProTox: a web server for the in silico prediction of rodent oral toxicity

av Drwal, Malgorzata N., Banerjee, Priyanka, Dunkel, Mathias, Wettig, Martin R., Preissner, Robert
Publicerad 2014

Exploring DNA Topoisomerase I Ligand Space in Search of Novel Anticancer Agents

av Drwal, Malgorzata N., Agama, Keli, Wakelin, Laurence P. G., Pommier, Yves, Griffith, Renate
Publicerad 2011

Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

av Jacquemard, Célien, Tran-Nguyen, Viet-Khoa, Drwal, Malgorzata N., Rognan, Didier, Kellenberger, Esther
I publikationen Molecules (2019)

WITHDRAWN—a resource for withdrawn and discontinued drugs

av Siramshetty, Vishal B., Nickel, Janette, Omieczynski, Christian, Gohlke, Bjoern-Oliver, Drwal, Malgorzata N., Preissner, Robert
I publikationen Nucleic Acids Res (2016)

Novel DNA Topoisomerase IIα Inhibitors from Combined Ligand- and Structure-Based Virtual Screening

av Drwal, Malgorzata N., Marinello, Jessica, Manzo, Stefano G., Wakelin, Laurence P. G., Capranico, Giovanni, Griffith, Renate
I publikationen PLoS One (2014)