| 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 | 256 | 2015 |
| 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 | 174 | 2013 |
| 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 | 160 | 2012 |
| Beware of Machine Learning-Based Scoring Functions On the Danger of Developing Black Boxes J Gabel, J Desaphy, D Rognan Journal of chemical information and modeling 54 (10), 2807-2815, 2014 | 150 | 2014 |
| IChem: a versatile toolkit for detecting, comparing, and predicting protein–ligand interactions F Da Silva, J Desaphy, D Rognan ChemMedChem 13 (6), 507-510, 2018 | 81 | 2018 |
| Structural insights into the molecular basis of the ligand promiscuity N Sturm, J Desaphy, RJ Quinn, D Rognan, E Kellenberger Journal of chemical information and modeling 52 (9), 2410-2421, 2012 | 71 | 2012 |
| Substituent effects on BTP's basicity and complexation properties with Ln III lanthanide ions G Benay, R Schurhammer, J Desaphy, G Wipff New Journal of Chemistry 35 (1), 184-189, 2011 | 45 | 2011 |
| Structural insights on fragment binding mode conservation MN Drwal, G Bret, C Perez, C Jacquemard, J Desaphy, E Kellenberger Journal of medicinal chemistry 61 (14), 5963-5973, 2018 | 37 | 2018 |
| sc-PDB-Frag: a database of protein–ligand interaction patterns for bioisosteric replacements J Desaphy, D Rognan Journal of Chemical Information and Modeling 54 (7), 1908-1918, 2014 | 32 | 2014 |
| IChemPIC: a random forest classifier of biological and crystallographic protein–protein interfaces F Da Silva, J Desaphy, G Bret, D Rognan Journal of chemical information and modeling 55 (9), 2005-2014, 2015 | 30 | 2015 |
| Binding mode information improves fragment docking C Jacquemard, MN Drwal, J Desaphy, E Kellenberger Journal of cheminformatics 11, 1-15, 2019 | 24 | 2019 |
| Do fragments and crystallization additives bind similarly to drug-like ligands? MN Drwal, C Jacquemard, C Perez, J Desaphy, E Kellenberger Journal of Chemical Information and Modeling 57 (5), 1197-1209, 2017 | 16 | 2017 |
| Are induced fit protein conformational changes caused by ligand‐binding predictable? A molecular dynamics investigation C Gao, J Desaphy, M Vieth Journal of computational chemistry 38 (15), 1229-1237, 2017 | 15 | 2017 |
| Molecular interaction fingerprints D Rognan, J Desaphy Scaffold hopping in medicinal chemistry, 215-230, 2013 | 5 | 2013 |
| L'analyse structurale de complexes protéine/ligand et ses applications en chémogénomique J Desaphy Université de Strasbourg, 2013 | 1 | 2013 |
| Fragment promiscuity and binding mode variability M Drwal, G Bret, J Desaphy, C Perez, E Kellenberger ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Pharmacophorical Profiling Using Shape Analysis J Desaphy, G Bret, I Slynko, D Rognan, E Kellenberger Tutorials in Chemoinformatics, 377-392, 2017 | | 2017 |
| Ligand promiscuity or protein redundancy?: Lessons from the PDB E Kellenberger, N Sturm, J Desaphy, D Rognan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
| Laboratoire d’Innovation Thérapeutique, UMR 7200 CNRS-Université de Strasbourg, F-67400 Illkirch J Gabel, J Desaphy, D Rognan | | |
| Compound profiling using similarity between protein binding sites and shape analysis of ligand J Desaphy, G Bret, D Rognan, E Kellenberger | | |
