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Disambiguation of "Barril, Xavier"

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Toward accurate relative energy predictions of the bioactive conformation of drugs.

, , and . Journal of Computational Chemistry, 30 (4): 601-610 (2009)

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Other publications of authors with the same name

Enzyme Enhancement Therapy through non-competitive pharmacological chaperones., , , , , , , , , and 1 other author(s). IWBBIO, page 390-395. Copicentro Editorial, (2014)MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories., , , and . Bioinformatics, 27 (23): 3276-3285 (2011)Extension of the MST continuum solvation model to the RM1 semiempirical hamiltonian., , , and . Journal of Computational Chemistry, 29 (4): 578-587 (2007)Molecular simulation methods in drug discovery: a prospective outlook., and . Journal of Computer-Aided Molecular Design, 26 (1): 81-86 (2012)Docking-undocking combination applied to the D3R Grand Challenge 2015., and . Journal of Computer-Aided Molecular Design, 30 (9): 805-815 (2016)Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study., , , , and . Journal of Computational Chemistry, 24 (1): 32-45 (2003)rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids., , , , , , , , and . PLoS Computational Biology, (2014)Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR., , , , , , , , and . Journal of Computer-Aided Molecular Design, 31 (8): 755-775 (2017)Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets., , , , , , , , , and 1 other author(s). Journal of Chemical Information and Modeling, 44 (6): 2157-2166 (2004)TuberQ: a Mycobacterium tuberculosis protein druggability database., , , , , , and . Database, (2014)