Jérémy Desaphy

According to our database, Jérémy Desaphy authored at least 10 papers between 2012 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Binding mode information improves fragment docking.

Célien Jacquemard, Malgorzata N. Drwal, Jérémy Desaphy, Esther Kellenberger

J. Cheminformatics, 2019

2017

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?

Malgorzata N. Drwal, Célien Jacquemard, Carlos Perez, Jérémy Desaphy, Esther Kellenberger

J. Chem. Inf. Model., 2017

Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation.

Cen Gao, Jérémy Desaphy, Michal Vieth

J. Comput. Chem., 2017

2015

sc-PDB: a 3D-database of ligandable binding sites - 10 years on.

Jérémy Desaphy, Guillaume Bret, Didier Rognan, Esther Kellenberger

Nucleic Acids Res., 2015

IChemPIC: A Random Forest Classifier of Biological and Crystallographic Protein-Protein Interfaces.

Franck Da Silva, Jérémy Desaphy, Guillaume Bret, Didier Rognan

J. Chem. Inf. Model., 2015

2014

Beware of Machine Learning-Based Scoring Functions - On the Danger of Developing Black Boxes.

Joffrey Gabel, Jérémy Desaphy, Didier Rognan

J. Chem. Inf. Model., 2014

sc-PDB-Frag: A Database of Protein-Ligand Interaction Patterns for Bioisosteric Replacements.

Jérémy Desaphy, Didier Rognan

J. Chem. Inf. Model., 2014

2013

Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs.

Jérémy Desaphy, Eric Raimbaud, Pierre Ducrot, Didier Rognan

J. Chem. Inf. Model., 2013

2012

Structural Insights into the Molecular Basis of the Ligand Promiscuity.

Noé Sturm, Jérémy Desaphy, Ronald J. Quinn, Didier Rognan, Esther Kellenberger

J. Chem. Inf. Model., 2012

Comparison and Druggability Prediction of Protein-Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes.

Jérémy Desaphy, Karima Azdimousa, Esther Kellenberger, Didier Rognan

J. Chem. Inf. Model., 2012