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Results: 26-50/69
Authors:
OROZCO M
ALHAMBRA C
BARRIL X
LOPEZ JM
BUSQUETS MA
LUQUE FJ
Citation: M. Orozco et al., THEORETICAL METHODS FOR THE REPRESENTATION OF SOLVENT, JOURNAL OF MOLECULAR MODELING, 2(1), 1996, pp. 1-15
Authors:
HERNANDEZ B
OROZCO M
LUQUE FJ
Citation: B. Hernandez et al., TAUTOMERISM OF XANTHINE AND ALLOXANTHINE - A MODEL FOR SUBSTRATE RECOGNITION BY XANTHINE-OXIDASE, Journal of computer-aided molecular design, 10(6), 1996, pp. 535-544
Authors:
OROZCO M
COLOMINAS C
LUQUE FJ
Citation: M. Orozco et al., THEORETICAL DETERMINATION OF THE SOLVATION FREE-ENERGY IN WATER AND CHLOROFORM OF THE NUCLEIC-ACID BASES, Chemical physics, 209(1), 1996, pp. 19-29
Authors:
LUQUE FJ
BACHS M
ALEMAN C
OROZCO M
Citation: Fj. Luque et al., EXTENSION OF MST SCRF METHOD TO ORGANIC-SOLVENTS - AB-INITIO AND SEMIEMPIRICAL PARAMETRIZATION FOR NEUTRAL SOLUTES IN CCL4/, Journal of computational chemistry, 17(7), 1996, pp. 806-820
Authors:
LUQUE FJ
COSSI M
TOMASI J
Citation: Fj. Luque et al., AN AB-INITIO SCRF CONTINUUM STUDY OF THE LEWIS-ACID COMPLEXATION OF ESTERS, Journal of molecular structure. Theochem, 371, 1996, pp. 123-132
Authors:
OROZCO M
ROCA R
ALEMAN C
BUSQUETS MA
LOPEZ JM
LUQUE FJ
Citation: M. Orozco et al., THEORETICAL REPRESENTATION OF SOLVENT EFFECTS IN THE STUDY OF BIOCHEMICAL SYSTEMS, Journal of molecular structure. Theochem, 371, 1996, pp. 269-278
Authors:
CAMPS P
LUQUE FJ
OROZCO M
PEREZ F
VAZQUEZ S
Citation: P. Camps et al., SYNTHESIS, CHEMICAL TRAPPING AND DIMERIZATION OF TRICYCLO[3.3.0.0(3,7)]OCT-1(5)-ENE, THE CONSUMMATE MEMBER OF A SERIES OF PYRAMIDALIZED ALKENES, Tetrahedron letters, 37(47), 1996, pp. 8605-8608
Authors:
MESTRES J
SOLA M
CARBO R
LUQUE FJ
OROZCO M
Citation: J. Mestres et al., EFFECT OF SOLVATION ON THE CHARGE-DISTRIBUTION OF A SERIES OF ANIONIC, NEUTRAL, AND CATIONIC SPECIES - A QUANTUM MOLECULAR SIMILARITY STUDY, Journal of physical chemistry, 100(2), 1996, pp. 606-610
Authors:
LUQUE FJ
ZHANG Y
ALEMAN C
BACHS M
GAO J
OROZCO M
Citation: Fj. Luque et al., SOLVENT EFFECTS IN CHLOROFORM SOLUTION - PARAMETRIZATION OF THE MST SCRF CONTINUUM MODEL/, Journal of physical chemistry, 100(10), 1996, pp. 4269-4276
Authors:
HERNANDEZ B
LUQUE FJ
OROZCO M
Citation: B. Hernandez et al., TAUTOMERISM OF XANTHINE-OXIDASE SUBSTRATES HYPOXANTHINE AND ALLOPURINOL, Journal of organic chemistry, 61(17), 1996, pp. 5964-5971
Authors:
OROZCO M
LOPEZ JM
COLOMINES C
ALHAMBRA C
BUSQUETS MA
LUQUE FJ
Citation: M. Orozco et al., THEORETICAL REPRESENTATION OF SOLVATION IN BIOCHEMICAL SYSTEMS - FROMDISCRETE SOLUTE-SOLVENT INTERACTIONS TO BULK SOLVATION, International journal of quantum chemistry, 60(6), 1996, pp. 1179-1187
Authors:
COLOMINAS C
LUQUE FJ
OROZCO M
Citation: C. Colominas et al., TAUTOMERISM AND PROTONATION OF GUANINE AND CYTOSINE - IMPLICATIONS INTHE FORMATION OF HYDROGEN-BONDED COMPLEXES, Journal of the American Chemical Society, 118(29), 1996, pp. 6811-6821
Authors:
OROZCO M
BACHS M
LUQUE FJ
Citation: M. Orozco et al., DEVELOPMENT OF OPTIMIZED MST SCRF METHODS FOR SEMIEMPIRICAL CALCULATIONS - THE MNDO AND PM3 HAMILTONIANS/, Journal of computational chemistry, 16(5), 1995, pp. 563-575
Authors:
BASTIDA J
CODINA C
PEETERS P
RUBIRALTA M
OROZCO M
LUQUE FJ
CHHABRA SC
Citation: J. Bastida et al., ALKALOIDS FROM CRINUM-KIRKII, Phytochemistry, 40(4), 1995, pp. 1291-1293
Authors:
LUQUE FJ
ALHAMBRA C
OROZCO M
Citation: Fj. Luque et al., EFFECT OF SOLVENT POLARIZATION ON BIMOLECULAR INTERACTIONS, Journal of physical chemistry, 99(29), 1995, pp. 11344-11349
Authors:
LAUGHTON CA
LUQUE FJ
OROZCO M
Citation: Ca. Laughton et al., COUNTERION DISTRIBUTION AROUND DNA STUDIED BY MOLECULAR-DYNAMICS AND QUANTUM-MECHANICAL SIMULATIONS, Journal of physical chemistry, 99(29), 1995, pp. 11591-11599
Authors:
ALHAMBRA C
LUQUE FJ
OROZCO M
Citation: C. Alhambra et al., MOLECULAR SOLVATION POTENTIAL - A NEW TOOL FOR THE QUANTUM-MECHANICALDESCRIPTION OF HYDRATION IN ORGANIC AND BIOORGANIC MOLECULES, Journal of physical chemistry, 99(10), 1995, pp. 3084-3092
Authors:
ALHAMBRA C
LUQUE FJ
ESTELRICH J
OROZCO M
Citation: C. Alhambra et al., TAUTOMERISM OF NEUTRAL AND PROTONATED 6-THIOGUANINE IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION - AN AB-INITIO STUDY, Journal of organic chemistry, 60(4), 1995, pp. 969-976
Authors:
LUQUE FJ
BOFILL JM
OROZCO M
Citation: Fj. Luque et al., NEW STRATEGIES TO INCORPORATE THE SOLVENT POLARIZATION IN SELF-CONSISTENT REACTION FIELD AND FREE-ENERGY PERTURBATION SIMULATIONS, The Journal of chemical physics, 103(23), 1995, pp. 10183-10191
Authors:
OROZCO M
LUQUE FJ
Citation: M. Orozco et Fj. Luque, THE POLARIZATION CONTRIBUTION TO THE FREE-ENERGY OF HYDRATION (VOL 102, PG 6145, 1995), The Journal of chemical physics, 103(20), 1995, pp. 9112-9112
Authors:
OROZCO M
LUQUE FJ
HABIBOLLAHZADEH D
GAO J
Citation: M. Orozco et al., THE POLARIZATION CONTRIBUTION TO THE FREE-ENERGY OF HYDRATION, The Journal of chemical physics, 102(15), 1995, pp. 6145-6152
Authors:
ALHAMBRA C
LUQUE FJ
PORTUGAL J
OROZCO M
Citation: C. Alhambra et al., MOLECULAR-DYNAMICS STUDY OF THE BINDING OF ELSAMICIN-A TO DNA, European journal of biochemistry, 230(2), 1995, pp. 555-566
Authors:
LUQUE FJ
GADRE SR
BHADANE PK
OROZCO M
Citation: Fj. Luque et al., THE EFFECT OF HYDRATION ON THE MOLECULAR CHARGE-DISTRIBUTION OF CATIONS - AN AB-INITIO SCRF STUDY, Chemical physics letters, 232(5-6), 1995, pp. 509-517
Authors:
OROZCO M
LUQUE FJ
Citation: M. Orozco et Fj. Luque, THEORETICAL-STUDY OF THE TAUTOMERISM AND PROTONATION OF 7-AMINOPYRAZOLOPYRIMIDINE IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION, Journal of the American Chemical Society, 117(4), 1995, pp. 1378-1386
Authors:
VANGUNSTEREN WF
LUQUE FJ
TIMMS D
TORDA AE
Citation: Wf. Vangunsteren et al., MOLECULAR MECHANICS IN BIOLOGY - FROM STRUCTURE TO FUNCTION, TAKING ACCOUNT OF SOLVATION, Annual review of biophysics and biomolecular structure, 23, 1994, pp. 847-863