Fluorine in medicinal chemistry HJ Böhm, D Banner, S Bendels, M Kansy, B Kuhn, K Müller, ... ChemBioChem 5 (5), 637-643, 2004 | 1885 | 2004 |
A medicinal chemist’s guide to molecular interactions C Bissantz, B Kuhn, M Stahl Journal of medicinal chemistry 53 (14), 5061-5084, 2010 | 1832 | 2010 |
Detailed analysis of scoring functions for virtual screening M Stahl, M Rarey Journal of medicinal chemistry 44 (7), 1035-1042, 2001 | 649 | 2001 |
Intramolecular hydrogen bonding in medicinal chemistry B Kuhn, P Mohr, M Stahl Journal of medicinal chemistry 53 (6), 2601-2611, 2010 | 609 | 2010 |
Validation and use of the MM-PBSA approach for drug discovery B Kuhn, P Gerber, T Schulz-Gasch, M Stahl Journal of medicinal chemistry 48 (12), 4040-4048, 2005 | 520 | 2005 |
Scaffold hopping HJ Böhm, A Flohr, M Stahl Drug discovery today: Technologies 1 (3), 217-224, 2004 | 464 | 2004 |
Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis KA Brameld, B Kuhn, DC Reuter, M Stahl Journal of chemical information and modeling 48 (1), 1-24, 2008 | 408 | 2008 |
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks G Schneider, ML Lee, M Stahl, P Schneider Journal of computer-aided molecular design 14, 487-494, 2000 | 347 | 2000 |
Binding site characteristics in structure-based virtual screening: evaluation of current docking tools T Schulz-Gasch, M Stahl Journal of molecular modeling 9, 47-57, 2003 | 304 | 2003 |
Similarity searching in large combinatorial chemistry spaces M Rarey, M Stahl Journal of Computer-Aided Molecular Design 15, 497-520, 2001 | 187 | 2001 |
Scoring functions for protein–ligand interactions: a critical perspective T Schulz-Gasch, M Stahl Drug Discovery Today: Technologies 1 (3), 231-239, 2004 | 178 | 2004 |
Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformations P Maass, T Schulz-Gasch, M Stahl, M Rarey Journal of chemical information and modeling 47 (2), 390-399, 2007 | 172 | 2007 |
Torsion angle preferences in druglike chemical space: a comprehensive guide C Scharfer, T Schulz-Gasch, HC Ehrlich, W Guba, M Rarey, M Stahl Journal of Medicinal Chemistry 56 (5), 2016-2028, 2013 | 144 | 2013 |
A real-world perspective on molecular design: Miniperspective B Kuhn, W Guba, J Hert, D Banner, C Bissantz, S Ceccarelli, W Haap, ... Journal of medicinal chemistry 59 (9), 4087-4102, 2016 | 130 | 2016 |
Ensemble methods for classification in cheminformatics C Merkwirth, H Mauser, T Schulz-Gasch, O Roche, M Stahl, T Lengauer Journal of chemical information and computer sciences 44 (6), 1971-1978, 2004 | 120 | 2004 |
Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening PC Wyss, P Gerber, PG Hartman, C Hubschwerlen, H Locher, HP Marty, ... Journal of medicinal chemistry 46 (12), 2304-2312, 2003 | 120 | 2003 |
The use of scoring functions in drug discovery applications HJ Böhm, M Stahl Reviews in computational chemistry 18, 41-87, 2002 | 120 | 2002 |
Michellamines D− F, new HIV-inhibitory dimeric naphthylisoquinoline alkaloids, and korupensamine E, a new antimalarial monomer, from Ancistrocladus korupensis YF Hallock, KP Manfredi, JR Dai, JH Cardellina, RJ Gulakowski, ... Journal of natural Products 60 (7), 677-683, 1997 | 119 | 1997 |
Database clustering with a combination of fingerprint and maximum common substructure methods M Stahl, H Mauser Journal of chemical information and modeling 45 (3), 542-548, 2005 | 113 | 2005 |
Structure-based library design: molecular modelling merges with combinatorial chemistry HJ Böhm, M Stahl Current Opinion in Chemical Biology 4 (3), 283-286, 2000 | 113 | 2000 |