| 2003 |
|---|
| 6 | EE | Carles Curutchet,
Josep María Bofill,
Begoña Hernández,
Modesto Orozco,
F. Javier Luque:
Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations.
Journal of Computational Chemistry 24(10): 1263-1275 (2003) |
| 2002 |
|---|
| 5 | 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) |
| 2000 |
|---|
| 4 | EE | Begoña Hernández,
F. Javier Luque,
Modesto Orozco:
Mixed QM/MM molecular electrostatic potentials.
Journal of Computer-Aided Molecular Design 14(4): 329-339 (2000) |
| 1999 |
|---|
| 3 | EE | Begoña Hernández,
F. Javier Luque,
Modesto Orozco:
Parametrization of the GMIPp for the study of stacking interactions.
Journal of Computational Chemistry 20(9): 937-946 (1999) |
| 1997 |
|---|
| 2 | EE | Begoña Hernández,
Modesto Orozco,
F. Javier Luque:
Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase.
Journal of Computer-Aided Molecular Design 11(2): 153-162 (1997) |
| 1996 |
|---|
| 1 | | Begoña Hernández,
Modesto Orozco,
F. Javier Luque:
Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase.
Journal of Computer-Aided Molecular Design 10(6): 535-544 (1996) |
