| 2009 |
|---|
| 6 | EE | 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 | EE | 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 | EE | 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 | EE | 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 | EE | 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 | EE | 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) |
