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Journal of Chemical Information and Modeling|January 12, 2010
Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sitesNathanaël Weill, Didier RognanInternational Journal of Molecular Sciences|October 27, 2022
Estimating the Similarity between Protein PocketsMerveille Eguida, Didier RognanCurrent Pharmaceutical Design|December 24, 2009
Customizing G Protein-coupled receptor models for structure-based virtual screeningChris de Graaf, Didier RognanMethods in Molecular Biology (Clifton, N.J.)|October 19, 2018
Structure-Based Detection of Orthosteric and Allosteric Pockets at Protein-Protein InterfacesFranck Da Silva, Didier RognanJournal of Medicinal Chemistry|August 6, 2008
Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptorChris de Graaf, Didier RognanJournal of Chemical Information and Computer Sciences|May 25, 2004
High-throughput modeling of human G-protein coupled receptors: amino acid sequence alignment, three-dimensional model building, and receptor library screeningCaterina Bissantz, Antoine Logean, Didier RognanJournal of Chemical Information and Modeling|May 22, 2025
On the Difficulty to Rescore Hits from Ultralarge Docking ScreensFrançois Sindt, Guillaume Bret, Didier RognanJournal of Chemical Information and Modeling|September 11, 2014
Beware of machine learning-based scoring functions-on the danger of developing black boxesJoffrey Gabel, Jérémy Desaphy, Didier RognanJournal of Chemical Information and Modeling|January 27, 2026
Assessing Boltz-2 Performance for the Binding Classification of Docking HitsGuillaume Bret, François Sindt, Didier RognanJournal of Chemical Information and Modeling|April 17, 2008
Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problemsEsther Kellenberger, Nicolas Foata, Didier RognanPageof 14