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Bioorganic & Medicinal Chemistry|July 22, 2008
New tacrine-dihydropyridine hybrids that inhibit acetylcholinesterase, calcium entry, and exhibit neuroprotection propertiesRafael León, Cristóbal de los Ríos, José Marco-Contelles, 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 BarrilMolecules (Basel, Switzerland)|November 8, 2018
Frontiers in Computational Chemistry for Drug DiscoveryF Javier LuqueExpert 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 BarrilJournal 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 BarrilJournal of Medicinal Chemistry|October 3, 2014
Molecular simulations with solvent competition quantify water displaceability and provide accurate interaction maps of protein binding sitesDaniel Alvarez-Garcia, Xavier BarrilMethods (San Diego, Calif.)|September 7, 2014
Virtual screening: an in silico tool for interlacing the chemical universe with the proteomeYvonne Westermaier, Xavier Barril, Leonardo ScapozzaPageof 28