Modesto Orozco

2008
36	EE	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
35	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)
2006
34	EE	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	EE	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	EE	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	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)
25	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)
24	EE	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	EE	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	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)
20	EE	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	EE	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	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
17	EE	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	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)
15	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)
1998
14	EE	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	EE	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	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
11	EE	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)

Coauthor Index

1	Carlos Alemán	[4] [5] [11]
2	Cristóbal Alhambra	[8]
3	Margarida Bachs	[6] [7] [9] [11]
4	Xavier Barril	[15] [21] [26] [35]
5	Josep María Bofill	[25]
6	Carles Colominas	[17]
7	Lucía Conde	[32]
8	Christopher J. Cramer	[23]
9	Xavier de la Cruz	[22] [27] [30] [31] [32] [33]
10	Carles Curutchet	[19] [23] [25] [26] [34]
11	Joaquín Dopazo	[32]
12	Carlos Fenollosa	[36]
13	Joan Carles Fernández	[28]
14	Carles Ferrer-Costa	[30] [31] [32] [33]
15	Flavio Forti	[35]
16	Xavier Fradera	[22]
17	R. Franco	[3]
18	Josep Lluis Gelpí	[22] [24] [27] [28] [33]
19	Josep Ramon Goñi	[29] [36]
20	Begoña Hernández	[10] [12] [16] [18] [21] [25]
21	Adam Hospital	[28]
22	M. López	[20]
23	F. Javier Luque (Francisco Javier Luque)	[1] [2] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [34] [35]
24	Elena Manresa	[28]
25	Benedetta Mennucci	[34]
26	Tim Meyer	[27]
27	Antonio Morreale	[24] [27]
28	J. Muñoz	[21]
29	Ivan Parraga	[33]
30	Alberto Pérez	[36]
31	Martín Pérez	[28]
32	Daniel Rinaldi	[23]
33	Manuel F. Ruiz-López	[23]
34	Albert Salichs	[20] [26]
35	V. Segarra	[20]
36	Carlos H. T. P. Silva	[22]
37	Robert Soliva	[13] [28]
38	David Talavera	[31]
39	Jacopo Tomasi	[34]
40	David Torrents	[36]
41	Donald G. Truhlar	[23]
42	Antoni Valencia	[28]
43	Juan M. Vaquerizas	[32]
44	Leire Zamakola	[33]

Colors in the list of coauthors