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Jérémy Desaphy
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2010 – 2019
- 2019
- [j10]Célien Jacquemard, Malgorzata N. Drwal, Jérémy Desaphy, Esther Kellenberger
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Binding mode information improves fragment docking. J. Cheminformatics 11(1): 24:1-24:15 (2019) - 2017
- [j9]Cen Gao, Jérémy Desaphy, Michal Vieth
Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation. J. Comput. Chem. 38(15): 1229-1237 (2017) - [j8]Malgorzata N. Drwal, Célien Jacquemard, Carlos Perez
Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? J. Chem. Inf. Model. 57(5): 1197-1209 (2017) - 2015
- [j7]Franck Da Silva, Jérémy Desaphy, Guillaume Bret, Didier Rognan:
IChemPIC: A Random Forest Classifier of Biological and Crystallographic Protein-Protein Interfaces. J. Chem. Inf. Model. 55(9): 2005-2014 (2015) - [j6]Jérémy Desaphy
sc-PDB: a 3D-database of ligandable binding sites - 10 years on. Nucleic Acids Res. 43(Database-Issue): 399-404 (2015) - 2014
- [j5]Jérémy Desaphy
sc-PDB-Frag: A Database of Protein-Ligand Interaction Patterns for Bioisosteric Replacements. J. Chem. Inf. Model. 54(7): 1908-1918 (2014) - [j4]Joffrey Gabel, Jérémy Desaphy
Beware of Machine Learning-Based Scoring Functions - On the Danger of Developing Black Boxes. J. Chem. Inf. Model. 54(10): 2807-2815 (2014) - 2013
- [j3]Jérémy Desaphy
Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs. J. Chem. Inf. Model. 53(3): 623-637 (2013) - 2012
- [j2]Jérémy Desaphy
Comparison and Druggability Prediction of Protein-Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes. J. Chem. Inf. Model. 52(8): 2287-2299 (2012) - [j1]Noé Sturm, Jérémy Desaphy
Structural Insights into the Molecular Basis of the Ligand Promiscuity. J. Chem. Inf. Model. 52(9): 2410-2421 (2012)
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