| Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations C Bissantz, G Folkers, D Rognan Journal of medicinal chemistry 43 (25), 4759-4767, 2000 | 983 | 2000 |
| Comparative evaluation of eight docking tools for docking and virtual screening accuracy E Kellenberger, J Rodrigo, P Muller, D Rognan Proteins: Structure, Function, and Bioinformatics 57 (2), 225-242, 2004 | 786 | 2004 |
| Molecular modeling: basic principles and applications HD Holtje, G Folkers, W Sippl, D Rognan John Wiley & Sons, Inc., 2003 | 542 | 2003 |
| Optimizing fragment and scaffold docking by use of molecular interaction fingerprints G Marcou, D Rognan Journal of chemical information and modeling 47 (1), 195-207, 2007 | 505 | 2007 |
| Protein‐based virtual screening of chemical databases. II. Are homology models of G‐protein coupled receptors suitable targets? C Bissantz, P Bernard, M Hibert, D Rognan Proteins: Structure, Function, and Bioinformatics 50 (1), 5-25, 2003 | 424 | 2003 |
| Identification of a low–molecular weight TrkB antagonist with anxiolytic and antidepressant activity in mice M Cazorla, J Prémont, A Mann, N Girard, C Kellendonk, D Rognan The Journal of clinical investigation 121 (5), 1846-1857, 2011 | 419 | 2011 |
| Chemogenomic approaches to rational drug design D Rognan British journal of pharmacology 152 (1), 38-52, 2007 | 364 | 2007 |
| Probing the cysteine-34 position of endogenous serum albumin with thiol-binding doxorubicin derivatives. Improved efficacy of an acid-sensitive doxorubicin derivative with … F Kratz, A Warnecke, K Scheuermann, C Stockmar, J Schwab, P Lazar, ... Journal of medicinal chemistry 45 (25), 5523-5533, 2002 | 348 | 2002 |
| A chemogenomic analysis of the transmembrane binding cavity of human G‐protein‐coupled receptors JS Surgand, J Rodrigo, E Kellenberger, D Rognan Proteins: Structure, Function, and Bioinformatics 62 (2), 509-538, 2006 | 295 | 2006 |
| sc-PDB: a 3D-database of ligandable binding sites—10 years on J Desaphy, G Bret, D Rognan, E Kellenberger Nucleic acids research 43 (D1), D399-D404, 2015 | 273 | 2015 |
| Predicting binding affinities of protein ligands from three-dimensional models: application to peptide binding to class I major histocompatibility proteins D Rognan, SL Lauemøller, A Holm, S Buus, V Tschinke Journal of medicinal chemistry 42 (22), 4650-4658, 1999 | 250 | 1999 |
| Positive and negative allosteric modulators of the Ca2+-sensing receptor interact within overlapping but not identical binding sites in the transmembrane domain C Petrel, A Kessler, P Dauban, RH Dodd, D Rognan, M Ruat Journal of Biological Chemistry 279 (18), 18990-18997, 2004 | 244 | 2004 |
| sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank E Kellenberger, P Muller, C Schalon, G Bret, N Foata, D Rognan Journal of chemical information and modeling 46 (2), 717-727, 2006 | 223 | 2006 |
| N,N‘-Linked Oligoureas as Foldamers: Chain Length Requirements for Helix Formation in Protic Solvent Investigated by Circular Dichroism, NMR Spectroscopy … A Violette, MC Averlant-Petit, V Semetey, C Hemmerlin, R Casimir, R Graff, ... Journal of the American Chemical Society 127 (7), 2156-2164, 2005 | 193 | 2005 |
| Structure‐based approaches to target fishing and ligand profiling D Rognan Molecular Informatics 29 (3), 176-187, 2010 | 187 | 2010 |
| LIT-PCBA: an unbiased data set for machine learning and virtual screening VK Tran-Nguyen, C Jacquemard, D Rognan Journal of chemical information and modeling 60 (9), 4263-4273, 2020 | 183 | 2020 |
| Encoding protein–ligand interaction patterns in fingerprints and graphs J Desaphy, E Raimbaud, P Ducrot, D Rognan Journal of chemical information and modeling 53 (3), 623-637, 2013 | 183 | 2013 |
| Delineating a Ca2+ binding pocket within the venus flytrap module of the human calcium-sensing receptor C Silve, C Petrel, C Leroy, H Bruel, E Mallet, D Rognan, M Ruat Journal of Biological Chemistry 280 (45), 37917-37923, 2005 | 167 | 2005 |
| Selective structure-based virtual screening for full and partial agonists of the β2 adrenergic receptor C de Graaf, D Rognan Journal of medicinal chemistry 51 (16), 4978-4985, 2008 | 166 | 2008 |
| Comparison and druggability prediction of protein–ligand binding sites from pharmacophore-annotated cavity shapes J Desaphy, K Azdimousa, E Kellenberger, D Rognan Journal of chemical information and modeling 52 (8), 2287-2299, 2012 | 165 | 2012 |