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Journal of Chemical Information and Modeling|March 28, 2006
Assessing the scaffold diversity of screening librariesMireille Krier, Guillaume Bret, Didier RognanJournal of Chemical Information and Modeling|June 24, 2008
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophoresCaterina Barillari, Gilles Marcou, Didier RognanInternational Journal of Molecular Sciences|June 25, 2020
Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for ImprovementViet-Khoa Tran-Nguyen, Didier RognanJournal of Chemical Information and Modeling|January 16, 2025
Active Learning to Select the Most Suitable Reagents and One-Step Organic Chemistry Reactions for Prioritizing Target-Specific Hits from Ultralarge Chemical SpacesVladimir Kozyrev, François Sindt, Didier RognanDrug Discovery Today. Technologies|October 23, 2016
Structural features and inhibitors of bromodomainsJamel Meslamani, Steven G Smith, Roberto Sanchez, et al.Bioinformatics (Oxford, England)|January 29, 2014
ChEpiMod: a knowledgebase for chemical modulators of epigenome reader domainsJamel Meslamani, Steven G Smith, Roberto Sanchez, et al.Chemmedchem|October 13, 2017
IChem: A Versatile Toolkit for Detecting, Comparing, and Predicting Protein-Ligand InteractionsFranck Da Silva, Jeremy Desaphy, Didier RognanThe Journal of Biological Chemistry|August 6, 2004
A three-dimensional model of the neprilysin 2 active site based on the X-ray structure of neprilysin. Identification of residues involved in substrate hydrolysis and inhibitor binding of neprilysin 2Stéphanie Voisin, Didier Rognan, Claude Gros, et al.Proteins|September 2, 2004
Comparative evaluation of eight docking tools for docking and virtual screening accuracyEsther Kellenberger, Jordi Rodrigo, Pascal Muller, et al.Journal of Chemical Information and Modeling|February 26, 2013
Encoding protein-ligand interaction patterns in fingerprints and graphsJérémy Desaphy, Eric Raimbaud, Pierre Ducrot, et al.Pageof 14