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Expert Opinion on Drug Discovery|March 19, 2013
Incorporating protein flexibility into docking and structure-based drug designXavier Barril, Xavier FraderaJournal of Computational Chemistry|December 30, 2003
Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theoryXavier Fradera, Miquel SolàJournal of Computational Chemistry|September 6, 2002
Electron localization and delocalization in open-shell moleculesXavier Fradera, Miquel SolàCurrent Topics in Medicinal Chemistry|March 23, 2004
Guided docking approaches to structure-based design and screeningXavier Fradera, Jordi MestresCurrent Protocols in Chemical Biology|September 15, 2017
Overview of Methods and Strategies for Conducting Virtual Small Molecule ScreeningXavier Fradera, Kerim BabaogluJournal of Medicinal Chemistry|August 6, 2010
Understanding and predicting druggability. A high-throughput method for detection of drug binding sitesPeter Schmidtke, Xavier BarrilJournal of Chemical Information and Modeling|February 14, 2020
Structural Stability Predicts the Binding Mode of Protein-Ligand ComplexesMaciej Majewski, Xavier BarrilJournal of Computer-Aided Molecular Design|April 27, 2005
Unsupervised guided docking of covalently bound ligandsXavier Fradera, Jasmit Kaur, Jordi MestresJournal 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 MorleyPageof 13