| Utility of homology models in the drug discovery process A Hillisch, LF Pineda, R Hilgenfeld Drug discovery today 9 (15), 659-669, 2004 | 433 | 2004 |
| Discovery of BAY 94‐8862: a nonsteroidal antagonist of the mineralocorticoid receptor for the treatment of cardiorenal diseases L Bärfacker, A Kuhl, A Hillisch, R Grosser, S Figueroa‐Pérez, H Heckroth, ... ChemMedChem 7 (8), 1385-1403, 2012 | 263 | 2012 |
| Recent advances in FRET: distance determination in protein–DNA complexes A Hillisch, M Lorenz, S Diekmann Current opinion in structural biology 11 (2), 201-207, 2001 | 242 | 2001 |
| Dissecting physiological roles of estrogen receptor α and β with potent selective ligands from structure-based design A Hillisch, O Peters, D Kosemund, G Müller, A Walter, B Schneider, ... Molecular Endocrinology 18 (7), 1599-1609, 2004 | 217 | 2004 |
| Conception and pharmacodynamic profile of drospirenone W Elger, S Beier, K Pollow, R Garfield, SQ Shi, A Hillisch Steroids 68 (10-13), 891-905, 2003 | 205 | 2003 |
| A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal molecule J Fagart, A Hillisch, J Huyet, L Bärfacker, M Fay, U Pleiss, E Pook, ... Journal of Biological Chemistry 285 (39), 29932-29940, 2010 | 198 | 2010 |
| Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits T Wunberg, M Hendrix, A Hillisch, M Lobell, H Meier, C Schmeck, H Wild, ... Drug discovery today 11 (3-4), 175-180, 2006 | 193 | 2006 |
| The Lab Oddity Prevails: Discovery of Pan‐CDK Inhibitor (R)‐S‐Cyclopropyl‐S‐(4‐{[4‐{[(1R,2R)‐2‐hydroxy‐1‐methylpropyl]oxy}‐5‐(trifluoromethyl)pyrimidin‐2 … U Lücking, R Jautelat, M Krüger, T Brumby, P Lienau, M Schäfer, H Briem, ... ChemMedChem 8 (7), 1067-1085, 2013 | 173 | 2013 |
| Binding free energy calculations for lead optimization: assessment of their accuracy in an industrial drug design context N Homeyer, F Stoll, A Hillisch, H Gohlke Journal of chemical theory and computation 10 (8), 3331-3344, 2014 | 169 | 2014 |
| Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades AH Göller, L Kuhnke, F Montanari, A Bonin, S Schneckener, A Ter Laak, ... Drug Discovery Today 25 (9), 1702-1709, 2020 | 159 | 2020 |
| Finerenone impedes aldosterone-dependent nuclear import of the mineralocorticoid receptor and prevents genomic recruitment of steroid receptor coactivator-1 L Amazit, F Le Billan, P Kolkhof, K Lamribet, S Viengchareun, MR Fay, ... Journal of Biological Chemistry 290 (36), 21876-21889, 2015 | 155 | 2015 |
| Impact of isotype-selective estrogen receptor agonists on ovarian function C Hegele-Hartung, P Siebel, O Peters, D Kosemund, G Müller, A Hillisch, ... Proceedings of the National Academy of Sciences 101 (14), 5129-5134, 2004 | 134 | 2004 |
| In silico ADMET traffic lights as a tool for the prioritization of HTS hits M Lobell, M Hendrix, B Hinzen, J Keldenich, H Meier, C Schmeck, ... ChemMedChem: Chemistry Enabling Drug Discovery 1 (11), 1229-1236, 2006 | 125 | 2006 |
| Global structure similarities of intact and nicked DNA complexed with IHF measured in solution by fluorescence resonance energy transfer M Lorenz, A Hillisch, SD Goodman, S Diekmann Nucleic Acids Research 27 (23), 4619-4625, 1999 | 110 | 1999 |
| Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction R Fraczkiewicz, M Lobell, AH Göller, U Krenz, R Schoenneis, RD Clark, ... Journal of chemical information and modeling 55 (2), 389-397, 2015 | 107 | 2015 |
| DNA bending induced by high mobility group proteins studied by fluorescence resonance energy transfer M Lorenz, A Hillisch, D Payet, M Buttinelli, A Travers, S Diekmann Biochemistry 38 (37), 12150-12158, 1999 | 94 | 1999 |
| CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory M Hennemann, A Friedl, M Lobell, J Keldenich, A Hillisch, T Clark, ... ChemMedChem: Chemistry Enabling Drug Discovery 4 (4), 657-669, 2009 | 88 | 2009 |
| Computational chemistry in the pharmaceutical industry: from childhood to adolescence A Hillisch, N Heinrich, H Wild ChemMedChem 10 (12), 1958-1962, 2015 | 84 | 2015 |
| Oral, direct thrombin and factor Xa inhibitors: the replacement for warfarin, leeches, and pig intestines? A Straub, S Roehrig, A Hillisch Angewandte Chemie International Edition 50 (20), 4574-4590, 2011 | 84 | 2011 |
| Prediction of oral bioavailability in rats: Transferring insights from in vitro correlations to (deep) machine learning models using in silico model outputs and chemical … S Schneckener, S Grimbs, J Hey, S Menz, M Osmers, S Schaper, ... Journal of chemical information and modeling 59 (11), 4893-4905, 2019 | 75 | 2019 |
Jerome FagartInsermVerified email at inserm.fr
