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Results: 1-15 |
Results: 15
SOLVATION STUDIES OF DMP323 AND A76928 BOUND TO HIV PROTEASE - ANALYSIS OF WATER SITES USING GRAND-CANONICAL MONTE-CARLO SIMULATIONS
Authors: MARRONE TJ RESAT H HODGE CN CHANG CH MCCAMMON JA
Citation: Tj. Marrone et al., SOLVATION STUDIES OF DMP323 AND A76928 BOUND TO HIV PROTEASE - ANALYSIS OF WATER SITES USING GRAND-CANONICAL MONTE-CARLO SIMULATIONS, Protein science, 7(3), 1998, pp. 573-579
STRUCTURE-BASED DRUG DESIGN - COMPUTATIONAL ADVANCES
Authors: MARRONE TJ BRIGGS JM MCCAMMON JA
Citation: Tj. Marrone et al., STRUCTURE-BASED DRUG DESIGN - COMPUTATIONAL ADVANCES, Annual review of pharmacology and toxicology, 37, 1997, pp. 71-90
CONFORMATIONAL SAMPLING WITH POISSON-BOLTZMANN FORCES AND A STOCHASTIC DYNAMICS MONTE-CARLO METHOD - APPLICATION TO ALANINE DIPEPTIDE
Authors: SMART JL MARRONE TJ MCCAMMON JA
Citation: Jl. Smart et al., CONFORMATIONAL SAMPLING WITH POISSON-BOLTZMANN FORCES AND A STOCHASTIC DYNAMICS MONTE-CARLO METHOD - APPLICATION TO ALANINE DIPEPTIDE, Journal of computational chemistry, 18(14), 1997, pp. 1750-1759
ELECTROSTATIC INTERACTIONS BETWEEN PROTEIN-KINASE-C AND PEPTIDE-SUBSTRATES
Authors: PROWSE CN ELCOCK AH MARRONE TJ BRIGGS JM NEWTON AC
Citation: Cn. Prowse et al., ELECTROSTATIC INTERACTIONS BETWEEN PROTEIN-KINASE-C AND PEPTIDE-SUBSTRATES, Biophysical journal, 72(2), 1997, pp. 393-393
HIV PROTEASE SOLVATION
Authors: MARRONE TJ RESAT H HODGE CN MCCAMMON JA
Citation: Tj. Marrone et al., HIV PROTEASE SOLVATION, Biophysical journal, 72(2), 1997, pp. 467-467
ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES
Authors: RESAT H MARRONE TJ MCCAMMON JA
Citation: H. Resat et al., ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES, Biophysical journal, 72(2), 1997, p.
ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES
Authors: RESAT H MARRONE TJ MCCAMMON JA
Citation: H. Resat et al., ENZYME-INHIBITOR ASSOCIATION THERMODYNAMICS - EXPLICIT AND CONTINUUM SOLVENT STUDIES, Biophysical journal, 72(2), 1997, pp. 522-532
ABSOLUTE-CONFIGURATION OF BROMOCHLOROFLUOROMETHANE FROM MOLECULAR-DYNAMICS SIMULATION OF ITS ENANTIOSELECTIVE COMPLEXATION BY CRYPTOPHANE-C
Authors: COSTANTECRASSOUS J MARRONE TJ BRIGGS JM MCCAMMON JA COLLET A
Citation: J. Costantecrassous et al., ABSOLUTE-CONFIGURATION OF BROMOCHLOROFLUOROMETHANE FROM MOLECULAR-DYNAMICS SIMULATION OF ITS ENANTIOSELECTIVE COMPLEXATION BY CRYPTOPHANE-C, Journal of the American Chemical Society, 119(16), 1997, pp. 3818-3823
COMPUTATIONAL SCIENCE NEW HORIZONS AND RELEVANCE TO PHARMACEUTICAL DESIGN
Authors: BRIGGS JM MARRONE TJ MCCAMMON JA
Citation: Jm. Briggs et al., COMPUTATIONAL SCIENCE NEW HORIZONS AND RELEVANCE TO PHARMACEUTICAL DESIGN, Trends in cardiovascular medicine, 6(6), 1996, pp. 198-204
COMPARISON OF CONTINUUM AND EXPLICIT MODELS OF SOLVATION - POTENTIALSOF MEAN FORCE FOR ALANINE DIPEPTIDE
Authors: MARRONE TJ GILSON MK MCCAMMON JA
Citation: Tj. Marrone et al., COMPARISON OF CONTINUUM AND EXPLICIT MODELS OF SOLVATION - POTENTIALSOF MEAN FORCE FOR ALANINE DIPEPTIDE, Journal of physical chemistry, 100(5), 1996, pp. 1439-1441
THEORETICAL-STUDY OF INHIBITION OF ADENOSINE-DEAMINASE BY (8R)-COFORMYCIN AND (8R)-DEOXYCOFORMYCIN
Authors: MARRONE TJ STRAATSMA TP BRIGGS JM WILSON DK QUIOCHO FA MCCAMMON JA
Citation: Tj. Marrone et al., THEORETICAL-STUDY OF INHIBITION OF ADENOSINE-DEAMINASE BY (8R)-COFORMYCIN AND (8R)-DEOXYCOFORMYCIN, Journal of medicinal chemistry, 39(1), 1996, pp. 277-284
MOLECULAR RECOGNITION OF K+ AND NA+ BY VALINOMYCIN IN METHANOL
Authors: MARRONE TJ MERZ KM
Citation: Tj. Marrone et Km. Merz, MOLECULAR RECOGNITION OF K+ AND NA+ BY VALINOMYCIN IN METHANOL, Journal of the American Chemical Society, 117(2), 1995, pp. 779-791
DETERMINATION OF ATOMIC CHARGES INCLUDING SOLVATION AND CONFORMATIONAL EFFECTS
Authors: MARRONE TJ HARTSOUGH DS MERZ KM
Citation: Tj. Marrone et al., DETERMINATION OF ATOMIC CHARGES INCLUDING SOLVATION AND CONFORMATIONAL EFFECTS, Journal of physical chemistry, 98(4), 1994, pp. 1341-1343
COMMENT ON TRANSFERABILITY OF ION MODELS - REPLY
Authors: MARRONE TJ MERZ KM
Citation: Tj. Marrone et Km. Merz, COMMENT ON TRANSFERABILITY OF ION MODELS - REPLY, Journal of physical chemistry, 98(33), 1994, pp. 8256-8257
PEPZYME DYNAMICS AND CONFORMATION - A MOLECULAR-DYNAMICS STUDY IN WATER
Authors: MARRONE TJ MCCAMMON JA
Citation: Tj. Marrone et Ja. Mccammon, PEPZYME DYNAMICS AND CONFORMATION - A MOLECULAR-DYNAMICS STUDY IN WATER, Journal of the American Chemical Society, 116(15), 1994, pp. 6987-6988
Risultati: 1-15 |