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Journal of Computer-Aided Molecular Design|October 7, 2016
Docking-undocking combination applied to the D3R Grand Challenge 2015Sergio Ruiz-Carmona, 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 BarrilInternational Journal of Molecular Sciences|May 14, 2022
Development of an Automatic Pipeline for Participation in the CELPP ChallengeMarina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, et al.Journal of Chemical Information and Modeling|July 13, 2017
LigQ: A Webserver to Select and Prepare Ligands for Virtual ScreeningLeandro Radusky, Sergio Ruiz-Carmona, Carlos Modenutti, et al.Journal of Computer-Aided Molecular Design|July 17, 2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoRYvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, et al.Nature Chemistry|February 22, 2017
Dynamic undocking and the quasi-bound state as tools for drug discoverySergio Ruiz-Carmona, Peter Schmidtke, F Javier Luque, et al.Plos Computational Biology|April 12, 2014
rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acidsSergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, 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 BarrilPageof 9