Jérémy Desaphy

Publication Activity (10 Years)

Years Active: 2012-2019
Publications (10 Years): 5

Top Topics

Machine Learning

Scoring Functions

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

Nucleic Acids Res.

Publications

Célien Jacquemard, Malgorzata N. Drwal, Jérémy Desaphy, Esther Kellenberger
Binding mode information improves fragment docking. J. Cheminformatics 11 (1) (2019)
Malgorzata N. Drwal, Célien Jacquemard, Carlos Perez, Jérémy Desaphy, Esther Kellenberger
Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? J. Chem. Inf. Model. 57 (5) (2017)
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) (2017)
Jérémy Desaphy, Guillaume Bret, Didier Rognan, Esther Kellenberger
sc-PDB: a 3D-database of ligandable binding sites - 10 years on. Nucleic Acids Res. 43 (Database-Issue) (2015)
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) (2015)
Joffrey Gabel, Jérémy Desaphy, Didier Rognan
Beware of Machine Learning-Based Scoring Functions - On the Danger of Developing Black Boxes. J. Chem. Inf. Model. 54 (10) (2014)
Jérémy Desaphy, Didier Rognan
sc-PDB-Frag: A Database of Protein-Ligand Interaction Patterns for Bioisosteric Replacements. J. Chem. Inf. Model. 54 (7) (2014)
Jérémy Desaphy, Eric Raimbaud, Pierre Ducrot, Didier Rognan
Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs. J. Chem. Inf. Model. 53 (3) (2013)
Jérémy Desaphy, Karima Azdimousa, Esther Kellenberger, Didier Rognan
Comparison and Druggability Prediction of Protein-Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes. J. Chem. Inf. Model. 52 (8) (2012)
Noé Sturm, Jérémy Desaphy, Ronald J. Quinn, Didier Rognan, Esther Kellenberger
Structural Insights into the Molecular Basis of the Ligand Promiscuity. J. Chem. Inf. Model. 52 (9) (2012)