| ProTox: a web server for the in silico prediction of rodent oral toxicity MN Drwal, P Banerjee, M Dunkel, MR Wettig, R Preissner Nucleic acids research 42 (W1), W53-W58, 2014 | 549 | 2014 |
| Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment. I Kufareva, M Rueda, V Katritch, GD participants, RC Stevens, R Abagyan Structure 19 (8), 1108-26, 2011 | 345 | 2011 |
| WITHDRAWN—a resource for withdrawn and discontinued drugs VB Siramshetty, J Nickel, C Omieczynski, BO Gohlke, MN Drwal, ... Nucleic acids research 44 (D1), D1080-D1086, 2016 | 252 | 2016 |
| Combination of ligand-and structure-based methods in virtual screening MN Drwal, R Griffith Drug Discovery Today: Technologies 10 (3), e395-e401, 2013 | 248 | 2013 |
| Exploring DNA topoisomerase I ligand space in search of novel anticancer agents MN Drwal, K Agama, LPG Wakelin, Y Pommier, R Griffith PLoS One 6 (9), e25150, 2011 | 57 | 2011 |
| Computational methods for prediction of in vitro effects of new chemical structures P Banerjee, VB Siramshetty, MN Drwal, R Preissner Journal of cheminformatics 8, 1-11, 2016 | 49 | 2016 |
| Novel DNA topoisomerase IIα inhibitors from combined ligand-and structure-based virtual screening MN Drwal, J Marinello, SG Manzo, LPG Wakelin, G Capranico, R Griffith PLoS One 9 (12), e114904, 2014 | 45 | 2014 |
| Molecular similarity-based predictions of the Tox21 screening outcome MN Drwal, VB Siramshetty, P Banerjee, A Goede, R Preissner, M Dunkel Frontiers in Environmental science 3, 54, 2015 | 39 | 2015 |
| Structural insights on fragment binding mode conservation MN Drwal, G Bret, C Perez, C Jacquemard, J Desaphy, E Kellenberger Journal of medicinal chemistry 61 (14), 5963-5973, 2018 | 35 | 2018 |
| Different binding modes of tropeines mediating inhibition and potentiation of α1 glycine receptors G Maksay, B Laube, R Schemm, J Grudzinska, M Drwal, H Betz Journal of neurochemistry 109 (6), 1725-1732, 2009 | 31 | 2009 |
| Computational prediction of immune cell cytotoxicity AK Schrey, J Nickel-Seeber, MN Drwal, P Zwicker, N Schultze, B Haertel, ... Food and Chemical Toxicology 107, 150-166, 2017 | 30 | 2017 |
| Binding mode information improves fragment docking C Jacquemard, MN Drwal, J Desaphy, E Kellenberger Journal of cheminformatics 11, 1-15, 2019 | 22 | 2019 |
| Probing the pharmacological properties of distinct subunit interfaces within heteromeric glycine receptors reveals a functional ββ agonist‐binding site S Dutertre, M Drwal, B Laube, H Betz Journal of neurochemistry 122 (1), 38-47, 2012 | 19 | 2012 |
| Do fragments and crystallization additives bind similarly to drug-like ligands? MN Drwal, C Jacquemard, C Perez, J Desaphy, E Kellenberger Journal of Chemical Information and Modeling 57 (5), 1197-1209, 2017 | 16 | 2017 |
| Inhibition of DNA–Topoisomerase I by Acylated Triterpene Saponins from Pittosporum angustifolium Lodd. C Bäcker, MN Drwal, R Preissner, U Lindequist Natural products and bioprospecting 6, 141-147, 2016 | 12 | 2016 |
| Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket MN Drwal, K Agama, Y Pommier, R Griffith Journal of computer-aided molecular design 27, 1037-1049, 2013 | 10 | 2013 |
| Multi‐target Fragments Display Versatile Binding Modes MN Drwal, G Bret, E Kellenberger Molecular Informatics 36 (10), 1700042, 2017 | 7 | 2017 |
| Local interaction density (LID), a fast and efficient tool to prioritize docking poses C Jacquemard, VK Tran-Nguyen, MN Drwal, D Rognan, E Kellenberger Molecules 24 (14), 2610, 2019 | 4 | 2019 |
| An in vitro approach for evaluating the immunotoxic potential of Cannabidiol P Zwicker, N Schultze, S Niehs, K Methling, M Wurster, J Bernhardt, ... Toxicology Letters 2 (238), S221, 2015 | 1 | 2015 |
| Design of novel inhibitors of DNA topoisomerases using computer-aided methods MN Drwal UNSW Sydney, 2013 | 1 | 2013 |
