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Journal of Computer-Aided Molecular Design|January 19, 2021
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challengeDylan Serillon, Carles Bo, Xavier BarrilJournal of the American Chemical Society|May 8, 2023
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) ReceptorAmy Edo-Osagie, Dylan Serillon, Federica Ruani, 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 Chemical Information and Modeling|February 14, 2020
Structural Stability Predicts the Binding Mode of Protein-Ligand ComplexesMaciej Majewski, Xavier BarrilInternational Journal of Molecular Sciences|May 25, 2024
Highlighting the Major Role of Cyclin C in Cyclin-Dependent Kinase 8 Activity through Molecular Dynamics SimulationsSonia Ziada, Julien Diharce, Dylan Serillon, et al.Journal 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 20