| Designing antimicrobial peptides: form follows function CD Fjell, JA Hiss, REW Hancock, G Schneider Nature reviews Drug discovery 11 (1), 37-51, 2012 | 1368 | 2012 |
| Computer-based de novo design of drug-like molecules G Schneider, U Fechner Nature Reviews Drug Discovery 4 (8), 649-663, 2005 | 812 | 2005 |
| “Scaffold‐hopping” by topological pharmacophore search: a contribution to virtual screening G Schneider, W Neidhart, T Giller, G Schmid Angewandte Chemie International Edition 38 (19), 2894-2896, 1999 | 685 | 1999 |
| Comparison of support vector machine and artificial neural network systems for drug/nondrug classification E Byvatov, U Fechner, J Sadowski, G Schneider Journal of chemical information and computer sciences 43 (6), 1882-1889, 2003 | 590 | 2003 |
| Counting on natural products for drug design T Rodrigues, D Reker, P Schneider, G Schneider Nature chemistry 8 (6), 531, 2016 | 500 | 2016 |
| Virtual screening and fast automated docking methods G Schneider, HJ Böhm Drug discovery today 7, 64-70, 2002 | 477 | 2002 |
| Virtual screening: an endless staircase? G Schneider Nature Reviews Drug Discovery 9 (4), 273-276, 2010 | 449 | 2010 |
| Deep learning in drug discovery E Gawehn, JA Hiss, G Schneider Molecular informatics 35 (1), 3-14, 2016 | 352 | 2016 |
| PocketPicker: analysis of ligand binding-sites with shape descriptors M Weisel, E Proschak, G Schneider Chemistry Central Journal 1 (1), 1-17, 2007 | 344 | 2007 |
| Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries ML Lee, G Schneider Journal of combinatorial chemistry 3 (3), 284-289, 2001 | 330 | 2001 |
| Optimized Particle Swarm Optimization (OPSO) and its application to artificial neural network training M Meissner, M Schmuker, G Schneider BMC bioinformatics 7 (1), 1-11, 2006 | 321 | 2006 |
| Support vector machine applications in bioinformatics. E Byvatov, G Schneider Applied bioinformatics 2 (2), 67-77, 2003 | 311 | 2003 |
| Development of a virtual screening method for identification of “frequent hitters” in compound libraries O Roche, P Schneider, J Zuegge, W Guba, M Kansy, A Alanine, ... Journal of medicinal chemistry 45 (1), 137-142, 2002 | 301 | 2002 |
| Artificial neural networks for computer-based molecular design G Schneider, P Wrede Progress in biophysics and molecular biology 70 (3), 175-222, 1998 | 281 | 1998 |
| 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 (5), 487-494, 2000 | 269 | 2000 |
| Predicting drug metabolism: experiment and/or computation? J Kirchmair, AH Göller, D Lang, J Kunze, B Testa, ID Wilson, RC Glen, ... Nature reviews Drug discovery 14 (6), 387-404, 2015 | 250 | 2015 |
| Virtual screening for bioactive molecules H Kubinyi, R Mannhold, H Timmerman John Wiley & Sons, 2008 | 246 | 2008 |
| Automating drug discovery G Schneider Nature reviews drug discovery 17 (2), 97, 2018 | 238 | 2018 |
| Deciphering apicoplast targeting signals–feature extraction from nuclear-encoded precursors of Plasmodium falciparum apicoplast proteins J Zuegge, S Ralph, M Schmuker, GI McFadden, G Schneider Gene 280 (1-2), 19-26, 2001 | 238 | 2001 |
| Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E‐cadherin to disrupt intercellular adhesion B Hoy, M Löwer, C Weydig, G Carra, N Tegtmeyer, T Geppert, P Schröder, ... EMBO reports 11 (10), 798-804, 2010 | 236 | 2010 |
