| 2009 | ||
|---|---|---|
| 38 | Jordi Camps, Oliver Carrillo, Agustí Emperador, Laura Orellana, Adam Hospital, Manuel Rueda, Damjan Cicin-Sain, Marco D'Abramo, Josep Lluis Gelpí, Modesto Orozco: FlexServ: an integrated tool for the analysis of protein flexibility. Bioinformatics 25(13): 1709-1710 (2009) | |
| 2008 | ||
| 37 | Josep Ramon Goñi, Carlos Fenollosa, Alberto Pérez, David Torrents, Modesto Orozco: DNAlive: a tool for the physical analysis of DNA at the genomic scale. Bioinformatics 24(15): 1731-1732 (2008) | |
| 2007 | ||
| 36 | David Talavera, Adam Hospital, Modesto Orozco, Xavier de la Cruz: A procedure for identifying homologous alternative splicing events. BMC Bioinformatics 8: (2007) | |
| 35 | 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) | |
| 2006 | ||
| 34 | Carles Curutchet, Modesto Orozco, F. Javier Luque, Benedetta Mennucci, Jacopo Tomasi: Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. Journal of Computational Chemistry 27(15): 1769-1780 (2006) | |
| 2005 | ||
| 33 | Carles Ferrer-Costa, Josep Lluis Gelpí, Leire Zamakola, Ivan Parraga, Xavier de la Cruz, Modesto Orozco: PMUT: a web-based tool for the annotation of pathological mutations on proteins. Bioinformatics 21(14): 3176-3178 (2005) | |
| 32 | Lucía Conde, Juan M. Vaquerizas, Carles Ferrer-Costa, Xavier de la Cruz, Modesto Orozco, Joaquín Dopazo: PupasView: a visual tool for selecting suitable SNPs, with putative pathological effect in genes, for genotyping purposes. Nucleic Acids Research 33(Web-Server-Issue): 501-505 (2005) | |
| 2004 | ||
| 31 | David Talavera, Carles Ferrer-Costa, Modesto Orozco, Xavier de la Cruz: Comparative Study of MAPK 9 Alternative Splicing from Human and Mouse. Spanish Bioinformatics Conference 2004: 114-117 | |
| 30 | Carles Ferrer-Costa, Modesto Orozco, Xavier de la Cruz: Annotation of Non-Human Pathological Mutations utilising Human-Parameterised Neural Networks. Spanish Bioinformatics Conference 2004: 128-131 | |
| 29 | Josep Ramon Goñi, Modesto Orozco: Triplex-Forming Sequences in Regulatory Regions. Spanish Bioinformatics Conference 2004: 16-19 | |
| 28 | Antoni Valencia, Martín Pérez, Adam Hospital, Joan Carles Fernández, Elena Manresa, Robert Soliva, Josep Lluis Gelpí, Modesto Orozco: Comparison of Active Centers of Proteins: The Kinesin Family as a Test Case. Spanish Bioinformatics Conference 2004: 205 | |
| 27 | Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco: Hydration Free Energy in Macromolecules. Spanish Bioinformatics Conference 2004: 206-207 | |
| 2003 | ||
| 26 | 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) | |
| 25 | 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) | |
| 24 | Antonio Morreale, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco: Continuum and discrete calculation of fractional contributions to solvation free energy. Journal of Computational Chemistry 24(13): 1610-1623 (2003) | |
| 23 | Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, Daniel Rinaldi, Modesto Orozco, F. Javier Luque: Electrostatic component of solvation: Comparison of SCRF continuum models. Journal of Computational Chemistry 24(3): 284-297 (2003) | |
| 2002 | ||
| 22 | Xavier Fradera, Xavier de la Cruz, Carlos H. T. P. Silva, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco: Ligand-induced changes in the binding sites of proteins. Bioinformatics 18(7): 939-948 (2002) | |
| 21 | 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) | |
| 20 | Albert Salichs, M. López, V. Segarra, Modesto Orozco, F. Javier Luque: Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study. Journal of Computer-Aided Molecular Design 16(8-9): 569-583 (2002) | |
| 2001 | ||
| 19 | Carles Curutchet, Modesto Orozco, F. Javier Luque: Solvation in octanol: parametrization of the continuum MST model. Journal of Computational Chemistry 22(11): 1180-1193 (2001) | |
| 2000 | ||
| 18 | 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 | ||
| 17 | Carles Colominas, F. Javier Luque, Modesto Orozco: Monte Carlo-MST: New strategy for representation of solvent configurational space in solution. Journal of Computational Chemistry 20(7): 665-678 (1999) | |
| 16 | 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) | |
| 15 | 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) | |
| 1998 | ||
| 14 | F. Javier Luque, Modesto Orozco: Polarization effects in generalized molecular interaction potential: New Hamiltonian for reactivity studies and mixed QM/MM calculations. Journal of Computational Chemistry 19(8): 866-881 (1998) | |
| 1997 | ||
| 13 | Robert Soliva, Modesto Orozco, F. Javier Luque: Suitability of density functional methods for calculation of electrostatic properties. Journal of Computational Chemistry 18(8): 980-991 (1997) | |
| 12 | 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 | ||
| 11 | F. Javier Luque, Margarida Bachs, Carlos Alemán, Modesto Orozco: Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4. Journal of Computational Chemistry 17(7): 806-820 (1996) | |
| 10 | 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) | |
| 1995 | ||
| 9 | Modesto Orozco, Margarida Bachs, F. Javier Luque: Development of Optimized MST/SCRF Methods for Semiempirical Calculations: The MNDO and PM3 Hamilitonians. Journal of Computational Chemistry 16(5): 563-575 (1995) | |
| 1994 | ||
| 8 | Cristóbal Alhambra, Francisco Javier Luque, Modesto Orozco: Comparison of NDDO and Quasi-Ab Initio Approaches to Compute Semiempirical Molecular Electrostatic Potentials. Journal of Computational Chemistry 15(1): 12-22 (1994) | |
| 7 | Margarida Bachs, F. Javier Luque, Modesto Orozco: Optimization of Solute Cavities and van der Waals Parameters in Ab Initio MST-SCRF Calculations of Neutral Molecules. Journal of Computational Chemistry 15(4): 446-454 (1994) | |
| 6 | F. Javier Luque, Margarida Bachs, Modesto Orozco: An Optimized AM1/MST Method for the MST-SCRF Representation of Solvated Systems. Journal of Computational Chemistry 15(8): 847-857 (1994) | |
| 1993 | ||
| 5 | Carlos Alemán, F. Javier Luque, Modesto Orozco: A new scaling procedure to correct semiempirical MEP and MEP-derived properties. Journal of Computer-Aided Molecular Design 7(6): 721-742 (1993) | |
| 1992 | ||
| 4 | Carlos Alemán, Modesto Orozco: On the suitability of semiempirical calculations as sources of force field parameters. Journal of Computer-Aided Molecular Design 6(4): 331-348 (1992) | |
| 1989 | ||
| 3 | Modesto Orozco, R. Franco: TEFOOL/2: a program for theoretical drug design on microcomputers. Computer Applications in the Biosciences 5(3): 219-226 (1989) | |
| 2 | Modesto Orozco, F. Javier Luque: POEAMS: program for outliers elimination in 'anomalous' multidimensional space. Computer Applications in the Biosciences 5(3): 241-242 (1989) | |
| 1988 | ||
| 1 | Modesto Orozco, F. Javier Luque: POEMS: program for outliers elimination in multidimensional space. Computer Applications in the Biosciences 4(3): 381-385 (1988) | |