Xavier Barril

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6EEKeith T. Butler, F. Javier Luque, Xavier Barril: Toward accurate relative energy predictions of the bioactive conformation of drugs. Journal of Computational Chemistry 30(4): 601-610 (2009)
5EEFlavio Forti, Xavier Barril, F. Javier Luque, Modesto Orozco: Extension of the MST continuum solvation model to the RM1 semiempirical hamiltonian. Journal of Computational Chemistry 29(4): 578-587 (2007)
4EENicolas Baurin, Fareed Aboul-Ela, Xavier Barril, Ben Davis, Martin Drysdale, Brian Dymock, Harry Finch, Christophe Fromont, Christine M. Richardson, Heather Simmonite, Roderick E. Hubbard: Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets. Journal of Chemical Information and Modeling 44(6): 2157-2166 (2004)
3EECarles Curutchet, Albert Salichs, Xavier Barril, Modesto Orozco, Francisco Javier Luque: Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study. Journal of Computational Chemistry 24(1): 32-45 (2003)
2EEJ. Muñoz, Xavier Barril, Begoña Hernández, Modesto Orozco, F. Javier Luque: Hydrophobic similarity between molecules: A MST-based hydrophobic similarity index. Journal of Computational Chemistry 23(5): 554-563 (2002)
1EEF. Javier Luque, Xavier Barril, Modesto Orozco: Fractional description of free energies of solvation. Journal of Computer-Aided Molecular Design 13(2): 139-152 (1999)

Coauthor Index

1Fareed Aboul-Ela [4]
2Nicolas Baurin [4]
3Keith T. Butler [6]
4Carles Curutchet [3]
5Ben Davis [4]
6Martin Drysdale [4]
7Brian Dymock [4]
8Harry Finch [4]
9Flavio Forti [5]
10Christophe Fromont [4]
11Begoña Hernández [2]
12Roderick E. Hubbard [4]
13F. Javier Luque (Francisco Javier Luque) [1] [2] [3] [5] [6]
14J. Muñoz [2]
15Modesto Orozco [1] [2] [3] [5]
16Christine M. Richardson [4]
17Albert Salichs [3]
18Heather Simmonite [4]

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Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)