Xavier Barril

	2012
8		Xavier Barril, F. Javier Luque: Molecular simulation methods in drug discovery: a prospective outlook. Journal of Computer-Aided Molecular Design 26(1): 81-86 (2012)
	2011
7		Peter Schmidtke, Axel Bidon-Chanal, F. Javier Luque, Xavier Barril: MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories. Bioinformatics 27(23): 3276-3285 (2011)
	2009
6		Keith 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)
	2007
5		Flavio 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)
	2004
4		Nicolas 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)
	2003
3		Carles 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)
	2002
2		J. 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)
	1999
1		F. 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

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

Colors in the list of coauthors

Last update Sun May 27 04:04:01 2012 CET by the DBLP Team — Data released under the ODC-BY 1.0 license — See also our legal information page