Discovery of Risdiplam, a Selective Survival of Motor Neuron-2 (SMN2) Gene Splicing Modifier for the Treatment of Spinal Muscular Atrophy (SMA) H Ratni, M Ebeling, J Baird, S Bendels, J Bylund, KS Chen, N Denk, ... Journal of Medicinal Chemistry 61 (15), 6501-6517, 2018 | 390 | 2018 |
Chemically advanced template search (CATS) for scaffold-hopping and prospective target prediction for ‘orphan’molecules M Reutlinger, CP Koch, D Reker, N Todoroff, P Schneider, T Rodrigues, ... Molecular informatics 32 (2), 133, 2013 | 149 | 2013 |
Revealing the macromolecular targets of complex natural products D Reker, AM Perna, T Rodrigues, P Schneider, M Reutlinger, B Mönch, ... Nature chemistry 6 (12), 1072-1078, 2014 | 128 | 2014 |
Rationalizing tight ligand binding through cooperative interaction networks B Kuhn, JE Fuchs, M Reutlinger, M Stahl, NR Taylor Journal of chemical information and modeling 51 (12), 3180-3198, 2011 | 99 | 2011 |
Voyages to the (un) known: adaptive design of bioactive compounds G Schneider, M Hartenfeller, M Reutlinger, Y Tanrikulu, E Proschak, ... Trends in biotechnology 27 (1), 18-26, 2009 | 98 | 2009 |
Multi‐objective molecular de novo design by adaptive fragment prioritization M Reutlinger, T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (16), 4244-4248, 2014 | 85 | 2014 |
Combining on‐chip synthesis of a focused combinatorial library with computational target prediction reveals imidazopyridine GPCR ligands M Reutlinger, T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (2), 582-585, 2014 | 74 | 2014 |
Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery M Reutlinger, G Schneider Journal of Molecular Graphics and Modelling 34, 108-117, 2012 | 74 | 2012 |
Immunosuppressive Small Molecule Discovered by Structure‐Based Virtual Screening for Inhibitors of Protein–Protein Interactions T Geppert, S Bauer, JA Hiss, E Conrad, M Reutlinger, P Schneider, ... Angewandte Chemie International Edition 51 (1), 258-261, 2012 | 44 | 2012 |
Neighborhood‐Preserving Visualization of Adaptive Structure–Activity Landscapes: Application to Drug Discovery M Reutlinger, W Guba, RE Martin, AI Alanine, T Hoffmann, A Klenner, ... Angewandte Chemie International Edition 50 (49), 11633-11636, 2011 | 44 | 2011 |
Multidimensional De Novo Design Reveals 5‐HT2B Receptor‐Selective Ligands T Rodrigues, N Hauser, D Reker, M Reutlinger, T Wunderlin, J Hamon, ... Angewandte Chemie International Edition 54 (5), 1551-1555, 2015 | 43 | 2015 |
Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors G Schneider, T Geppert, M Hartenfeller, F Reisen, A Klenner, ... Future medicinal chemistry 3 (4), 415-424, 2011 | 43 | 2011 |
Discovery of a novel class of survival motor neuron 2 splicing modifiers for the treatment of spinal muscular atrophy E Pinard, L Green, M Reutlinger, M Weetall, NA Naryshkin, J Baird, ... Journal of Medicinal Chemistry 60 (10), 4444-4457, 2017 | 38 | 2017 |
Machine learning estimates of natural product conformational energies M Rupp, MR Bauer, R Wilcken, A Lange, M Reutlinger, FM Boeckler, ... PLoS computational biology 10 (1), e1003400, 2014 | 37 | 2014 |
Drugs by numbers: reaction‐driven de novo design of potent and selective anticancer leads B Spänkuch, S Keppner, L Lange, T Rodrigues, H Zettl, CP Koch, ... Angewandte Chemie International Edition 52 (17), 4676-4681, 2013 | 29 | 2013 |
Understanding molecular drivers of melanin binding to support rational design of small molecule ophthalmic drugs P Jakubiak, M Reutlinger, P Mattei, F Schuler, A Urtti, R Alvarez-Sánchez Journal of medicinal chemistry 61 (22), 10106-10115, 2018 | 28 | 2018 |
Exhaustive proteome mining for functional MHC-I ligands CP Koch, AM Perna, S Weissmüller, S Bauer, M Pillong, RB Baleeiro, ... ACS chemical biology 8 (9), 1876-1881, 2013 | 17 | 2013 |
Combinatorial chemistry by ant colony optimization JA Hiss, M Reutlinger, CP Koch, AM Perna, P Schneider, T Rodrigues, ... Future medicinal chemistry 6 (3), 267-280, 2014 | 16 | 2014 |
Target profile prediction and practical evaluation of a biginelli-type dihydropyrimidine compound library P Schneider, K Stutz, L Kasper, S Haller, M Reutlinger, F Reisen, ... Pharmaceuticals 4 (9), 1236-1247, 2011 | 15 | 2011 |
Kombination von On‐Chip‐Synthese einer fokussierten kombinatorischen Bibliothek mit computergestützter Vorhersage der biologischen Aktivität enthüllt Imidazopyridine als GPCR … M Reutlinger, T Rodrigues, P Schneider, G Schneider Angewandte Chemie 126 (2), 593-596, 2014 | 12 | 2014 |