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Future Medicinal Chemistry|September 16, 2016
Comparing atom-based with residue-based descriptors in predicting binding site similarity: do backbone atoms matter?Noé Sturm, Didier Rognan, Ronald J Quinn, et al.Journal of Chemical Information and Modeling|August 14, 2019
Unsupervised Classification of G-Protein Coupled Receptors and Their Conformational States Using IChem Intramolecular Interaction PatternsFlorian Koensgen, Franck Da Silva, Didier Rognan, et al.Biochimica Et Biophysica Acta|September 17, 2013
Schistosoma mansoni NAD(+) catabolizing enzyme: identification of key residues in catalysisIsabelle Kuhn, Esther Kellenberger, Francis Schuber, et al.Proteins|March 5, 2004
Recovering the true targets of specific ligands by virtual screening of the protein data bankNicodéme Paul, Esther Kellenberger, Guillaume Bret, et al.Journal of Chemical Information and Modeling|May 29, 2024
Benchmarking AlphaFold-Generated Structures of Chemokine-Chemokine Receptor ComplexesLauri Urvas, Luca Chiesa, Guillaume Bret, et al.Viruses|August 10, 2021
Modeling of CCR5 Recognition by HIV-1 gp120: How the Viral Protein Exploits the Conformational Plasticity of the CoreceptorCélien Jacquemard, Florian Koensgen, Philippe Colin, et al.Journal of Chemical Information and Modeling|April 18, 2017
Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?Malgorzata N Drwal, Célien Jacquemard, Carlos Perez, et al.RSC Medicinal Chemistry|April 18, 2022
Comprehensive analysis of commercial fragment librariesJulia Revillo Imbernon, Célien Jacquemard, Guillaume Bret, et al.Chemmedchem|November 14, 2025
Scaffold-Based Libraries Versus Make-on-Demand Space: A Comparative Assessment of Chemical ContentLéonard Bui, Teodora Djikic-Stojsic, Guillaume Bret, et al.Journal of Chemical Information and Modeling|August 28, 2012
Structural insights into the molecular basis of the ligand promiscuityNoé Sturm, Jérémy Desaphy, Ronald J Quinn, et al.Pageof 6