LabEx Medalis

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

Jérémy Desaphy, Karima Azdimousa, Esther Kellenberger, and Didier Rognan *
Laboratory of Therapeutic Innovation, UMR 7200 Université de Strasbourg/CNRS, Medalis Drug Discovery Center, F-67400 Illkirch, France 

J. Chem. Info. Model., 2012, 52 (9), 2287-2299

PubMed - DOI

Structural Insights into the Molecular Basis of the Ligand Promiscuity

Noé Sturm †‡, Jérémy Desaphy †, Ronald J. Quinn ‡, Didier Rognan †, and Esther Kellenberger †*
† UMR 7200 CNRS/Université de Strasbourg, MEDALIS Drug Discovery Center, 74 route du Rhin, 67401 Illkirch, France
‡ Eskitis Institute, Griffith University, Brisbane, Qld 4111, Australia

J. Chem. Inf. Model., 2012, 52 (9), 2410–2421


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