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Journal of Chemical Information and Modeling|February 14, 2020
Structural Stability Predicts the Binding Mode of Protein-Ligand ComplexesMaciej Majewski, Xavier BarrilMethods in Molecular Biology (Clifton, N.J.)|July 25, 2018
Dynamic Undocking: A Novel Method for Structure-Based Drug DiscoveryMaciej Majewski, Sergio Ruiz-Carmona, Xavier BarrilDrug Discovery Today. Technologies|December 17, 2021
Fragment-to-lead tailored in silico designMoira Rachman, Serena Piticchio, Maciej Majewski, et al.Journal of Chemical Information and Modeling|May 20, 2025
The Quasi-Bound State as a Predictor of Relative Binding Free EnergyÁlvaro Serrano-Morrás, Yvonne Westermaier, Maciej Majewski, et al.Journal of Medicinal Chemistry|August 6, 2010
Understanding and predicting druggability. A high-throughput method for detection of drug binding sitesPeter Schmidtke, Xavier BarrilExpert Opinion on Drug Discovery|March 19, 2013
Incorporating protein flexibility into docking and structure-based drug designXavier Barril, Xavier FraderaJournal of Computer-Aided Molecular Design|December 14, 2011
Molecular simulation methods in drug discovery: a prospective outlookXavier Barril, F Javier LuqueJournal of Medicinal Chemistry|June 25, 2005
Unveiling the full potential of flexible receptor docking using multiple crystallographic structuresXavier Barril, S David MorleyJournal of Chemical Theory and Computation|November 19, 2015
Relationship between Protein Flexibility and Binding: Lessons for Structure-Based Drug DesignDaniel Alvarez-Garcia, Xavier BarrilJournal of Computer-Aided Molecular Design|October 7, 2016
Docking-undocking combination applied to the D3R Grand Challenge 2015Sergio Ruiz-Carmona, Xavier BarrilPageof 10