Publications by authors named "Jeremy Desaphy"

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BioRels' data infrastructure: a scientific schema and exchange standard to transform and enhance biological data sciences.
Jibo Wang, Amanda Turney, Lauren Murray, Andrew M Craven, Patty Bragger-Wilkinson, Jeremy Desaphy

Nucleic Acids Res· March 2025

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Binding mode information improves fragment docking.
Célien Jacquemard, Malgorzata N Drwal, Jérémy Desaphy, Esther Kellenberger

J Cheminform· March 2019

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Structural Insights on Fragment Binding Mode Conservation.
Malgorzata N Drwal, Guillaume Bret, Carlos Perez, Célien Jacquemard, Jérémy Desaphy

J Med Chem· July 2018

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IChem: A Versatile Toolkit for Detecting, Comparing, and Predicting Protein-Ligand Interactions.
Franck Da Silva, Jeremy Desaphy, Didier Rognan

ChemMedChem· March 2018

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Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation.
Cen Gao, Jeremy Desaphy, Michal Vieth

J Comput Chem· June 2017

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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· May 2017

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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· September 2015

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sc-PDB: a 3D-database of ligandable binding sites--10 years on.
Jérémy Desaphy, Guillaume Bret, Didier Rognan, Esther Kellenberger

Nucleic Acids Res· January 2015

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Beware of machine learning-based scoring functions-on the danger of developing black boxes.
Joffrey Gabel, Jérémy Desaphy, Didier Rognan

J Chem Inf Model· October 2014

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sc-PDB-Frag: a database of protein-ligand interaction patterns for Bioisosteric replacements.
Jérémy Desaphy, Didier Rognan

J Chem Inf Model· July 2014

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Encoding protein-ligand interaction patterns in fingerprints and graphs.
Jérémy Desaphy, Eric Raimbaud, Pierre Ducrot, Didier Rognan

J Chem Inf Model· March 2013

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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· September 2012

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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· August 2012

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