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Results: 1-13 |
Results: 13
MONTE-CARLO SIMULATIONS FOR PROTEINS - BINDING AFFINITIES FOR TRYPSIN-BENZAMIDINE COMPLEXES VIA FREE-ENERGY PERTURBATIONS
Authors: ESSEX JW SEVERANCE DL TIRADORIVES J JORGENSEN WL
Citation: Jw. Essex et al., MONTE-CARLO SIMULATIONS FOR PROTEINS - BINDING AFFINITIES FOR TRYPSIN-BENZAMIDINE COMPLEXES VIA FREE-ENERGY PERTURBATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(46), 1997, pp. 9663-9669
MONTE-CARLO VS MOLECULAR-DYNAMICS FOR CONFORMATIONAL SAMPLING (VOL 100, PG 14510, 1996)
Authors: JORGENSEN WL TIRADORIVES J
Citation: Wl. Jorgensen et J. Tiradorives, MONTE-CARLO VS MOLECULAR-DYNAMICS FOR CONFORMATIONAL SAMPLING (VOL 100, PG 14510, 1996), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(15), 1997, pp. 2916-2916
OPLS ALL-ATOM FORCE-FIELD FOR CARBOHYDRATES
Authors: DAMM W FRONTERA A TIRADORIVES J JORGENSEN WL
Citation: W. Damm et al., OPLS ALL-ATOM FORCE-FIELD FOR CARBOHYDRATES, Journal of computational chemistry, 18(16), 1997, pp. 1955-1970
MOLECULAR-DYNAMICS SIMULATIONS OF THE UNFOLDING OF BARNASE IN WATER AND 8 M AQUEOUS UREA
Authors: TIRADORIVES J OROZCO M JORGENSEN WL
Citation: J. Tiradorives et al., MOLECULAR-DYNAMICS SIMULATIONS OF THE UNFOLDING OF BARNASE IN WATER AND 8 M AQUEOUS UREA, Biochemistry, 36(24), 1997, pp. 7313-7329
VIABILITY OF MOLECULAR MODELING WITH PENTIUM-BASED PCS
Authors: TIRADORIVES J JORGENSEN WL
Citation: J. Tiradorives et Wl. Jorgensen, VIABILITY OF MOLECULAR MODELING WITH PENTIUM-BASED PCS, Journal of computational chemistry, 17(11), 1996, pp. 1385-1386
MONTE-CARLO VS MOLECULAR-DYNAMICS FOR CONFORMATIONAL SAMPLING
Authors: JORGENSEN WL TIRADORIVES J
Citation: Wl. Jorgensen et J. Tiradorives, MONTE-CARLO VS MOLECULAR-DYNAMICS FOR CONFORMATIONAL SAMPLING, Journal of physical chemistry, 100(34), 1996, pp. 14508-14513
DEVELOPMENT AND TESTING OF THE OPLS ALL-ATOM FORCE-FIELD ON CONFORMATIONAL ENERGETICS AND PROPERTIES OF ORGANIC LIQUIDS
Authors: JORGENSEN WL MAXWELL DS TIRADORIVES J
Citation: Wl. Jorgensen et al., DEVELOPMENT AND TESTING OF THE OPLS ALL-ATOM FORCE-FIELD ON CONFORMATIONAL ENERGETICS AND PROPERTIES OF ORGANIC LIQUIDS, Journal of the American Chemical Society, 118(45), 1996, pp. 11225-11236
FREE-ENERGIES OF HYDRATION FOR ORGANIC-MOLECULES FROM MONTE-CARLO SIMULATIONS
Authors: JORGENSEN WL TIRADORIVES J
Citation: Wl. Jorgensen et J. Tiradorives, FREE-ENERGIES OF HYDRATION FOR ORGANIC-MOLECULES FROM MONTE-CARLO SIMULATIONS, Perspectives in drug discovery and design, 3, 1995, pp. 123-138
A COMPREHENSIVE STUDY OF THE ROTATIONAL ENERGY PROFILES OF ORGANIC-SYSTEMS BY AB-INITIO MO THEORY, FORMING A BASIS FOR PEPTIDE TORSIONAL PARAMETERS
Authors: MAXWELL DS TIRADORIVES J JORGENSEN WL
Citation: Ds. Maxwell et al., A COMPREHENSIVE STUDY OF THE ROTATIONAL ENERGY PROFILES OF ORGANIC-SYSTEMS BY AB-INITIO MO THEORY, FORMING A BASIS FOR PEPTIDE TORSIONAL PARAMETERS, Journal of computational chemistry, 16(8), 1995, pp. 984-1010
COMPUTATIONAL INVESTIGATIONS OF PROTEIN DENATURATION - APOMYOGLOBIN AND CHAOTROPE-ARENE INTERACTIONS
Authors: JORGENSEN WL DUFFY EM TIRADORIVES J
Citation: Wl. Jorgensen et al., COMPUTATIONAL INVESTIGATIONS OF PROTEIN DENATURATION - APOMYOGLOBIN AND CHAOTROPE-ARENE INTERACTIONS, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 345(1674), 1993, pp. 87-96
MECHANISM FOR THE ROTAMASE ACTIVITY OF FK506 BINDING-PROTEIN FROM MOLECULAR-DYNAMICS SIMULATIONS
Authors: OROZCO M TIRADORIVES J JORGENSEN WL
Citation: M. Orozco et al., MECHANISM FOR THE ROTAMASE ACTIVITY OF FK506 BINDING-PROTEIN FROM MOLECULAR-DYNAMICS SIMULATIONS, Biochemistry, 32(47), 1993, pp. 12864-12874
MOLECULAR-DYNAMICS SIMULATIONS OF THE UNFOLDING OF APOMYOGLOBIN IN WATER
Authors: TIRADORIVES J JORGENSEN WL
Citation: J. Tiradorives et Wl. Jorgensen, MOLECULAR-DYNAMICS SIMULATIONS OF THE UNFOLDING OF APOMYOGLOBIN IN WATER, Biochemistry, 32(16), 1993, pp. 4175-4184
MOLECULAR-DYNAMICS AND MONTE-CARLO SIMULATIONS FAVOR THE ALPHA-HELICAL FORM FOR ALANINE-BASED PEPTIDES IN WATER
Authors: TIRADORIVES J MAXWELL DS JORGENSEN WL
Citation: J. Tiradorives et al., MOLECULAR-DYNAMICS AND MONTE-CARLO SIMULATIONS FAVOR THE ALPHA-HELICAL FORM FOR ALANINE-BASED PEPTIDES IN WATER, Journal of the American Chemical Society, 115(24), 1993, pp. 11590-11593
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