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Results: 1-8 |
Results: 8
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
GENERALIZED ALTERATION OF STRUCTURE AND PARAMETERS - A NEW METHOD FORFREE-ENERGY PERTURBATIONS IN SYSTEMS CONTAINING FLEXIBLE DEGREES OF FREEDOM
Authors: SEVERANCE DL ESSEX JW JORGENSEN WL
Citation: Dl. Severance et al., GENERALIZED ALTERATION OF STRUCTURE AND PARAMETERS - A NEW METHOD FORFREE-ENERGY PERTURBATIONS IN SYSTEMS CONTAINING FLEXIBLE DEGREES OF FREEDOM, Journal of computational chemistry, 16(3), 1995, pp. 311-327
ENERGY DIFFERENCE BETWEEN THE CLASSICAL AND THE NONCLASSICAL 2-NORBORNYL CATION IN SOLUTION - A COMBINED AB-INITIO MONTE-CARLO AQUEOUS-SOLUTION STUDY
Authors: SCHREINER PR SEVERANCE DL JORGENSEN WL SCHLEYER PV SCHAEFER HF
Citation: Pr. Schreiner et al., ENERGY DIFFERENCE BETWEEN THE CLASSICAL AND THE NONCLASSICAL 2-NORBORNYL CATION IN SOLUTION - A COMBINED AB-INITIO MONTE-CARLO AQUEOUS-SOLUTION STUDY, Journal of the American Chemical Society, 117(9), 1995, pp. 2663-2664
ADSORPTION OF SULFUR-CONTAINING MOLECULES ON GOLD - THE EFFECT OF OXIDATION ON MONOLAYER FORMATION AND STABILITY CHARACTERIZED BY EXPERIMENTS AND THEORY
Authors: GARRELL RL CHADWICK JE SEVERANCE DL MCDONALD NA MYLES DC
Citation: Rl. Garrell et al., ADSORPTION OF SULFUR-CONTAINING MOLECULES ON GOLD - THE EFFECT OF OXIDATION ON MONOLAYER FORMATION AND STABILITY CHARACTERIZED BY EXPERIMENTS AND THEORY, Journal of the American Chemical Society, 117(46), 1995, pp. 11563-11571
INVESTIGATION OF SOLVENT EFFECTS ON PERICYCLIC-REACTIONS BY COMPUTER-SIMULATIONS
Authors: JORGENSEN WL BLAKE JF LIM DC SEVERANCE DL
Citation: Wl. Jorgensen et al., INVESTIGATION OF SOLVENT EFFECTS ON PERICYCLIC-REACTIONS BY COMPUTER-SIMULATIONS, Journal of the Chemical Society. Faraday transactions, 90(12), 1994, pp. 1727-1732
MONTE-CARLO RESULTS FOR THE EFFECT OF SOLVATION ON THE ANOMERIC EQUILIBRIUM FOR 2-METHOXYTETRAHYDROPYRAN
Authors: JORGENSEN WL DETIRADO PIM SEVERANCE DL
Citation: Wl. Jorgensen et al., MONTE-CARLO RESULTS FOR THE EFFECT OF SOLVATION ON THE ANOMERIC EQUILIBRIUM FOR 2-METHOXYTETRAHYDROPYRAN, Journal of the American Chemical Society, 116(5), 1994, pp. 2199-2200
LIMITED EFFECTS OF POLARIZATION FOR CL-(H2O)N AND NA+(H2O)N CLUSTERS
Authors: JORGENSEN WL SEVERANCE DL
Citation: Wl. Jorgensen et Dl. Severance, LIMITED EFFECTS OF POLARIZATION FOR CL-(H2O)N AND NA+(H2O)N CLUSTERS, The Journal of chemical physics, 99(5), 1993, pp. 4233-4235
UREA - POTENTIAL FUNCTIONS, LOG-P, AND FREE-ENERGY OF HYDRATION
Authors: DUFFY EM SEVERANCE DL JORGENSEN WL
Citation: Em. Duffy et al., UREA - POTENTIAL FUNCTIONS, LOG-P, AND FREE-ENERGY OF HYDRATION, Israel Journal of Chemistry, 33(3), 1993, pp. 323-330
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