共 50 条
- [31] FREE-ENERGY OF HYDROPHOBIC HYDRATION - A MOLECULAR-DYNAMICS STUDY OF NOBLE-GASES IN WATERJOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11): : 6720 - 6727STRAATSMA, TPBERENDSEN, HJCPOSTMA, JPM
- [32] INTERACTION OF SMALL PEPTIDES WITH LIPID BILAYERS - MOLECULAR-DYNAMICS AND FREE-ENERGY SIMULATION STUDIESBIOPHYSICAL JOURNAL, 1994, 66 (02) : A392 - A392DAMODARAN, KVMERZ, KMGABER, BP
- [33] INSIGHT INTO THE SPECIFICITY OF THYMIDYLATE SYNTHASE FROM MOLECULAR-DYNAMICS AND FREE-ENERGY PERTURBATION CALCULATIONSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (27) : 7213 - 7227RASTELLI, GTHOMAS, BKOLLMAN, PASANTI, DV
- [34] The use of processor groups in molecular dynamics simulations to sample free-energy statesJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2007, 3 (02) : 583 - 592Palmer, BruceKathmann, ShawnKrishnan, ManojkumarTipparaju, VinodNieplocha, Jarek
- [35] Free-energy calculations of elemental sulphur crystals via molecular dynamics simulationsJOURNAL OF CHEMICAL PHYSICS, 2003, 119 (04): : 2147 - 2154Pastorino, CGamba, Z
- [36] Equilibrated polyethylene single-molecule crystals: molecular-dynamics simulations and analytic model of the global minimum of the free-energy landscapeJOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (19) : L199 - L208Larini, LBarbieri, APrevosto, DRolla, PALeporini, D
- [37] MOLECULAR-DYNAMICS SIMULATIONS OF A PROTEIN IN THE CANONICAL ENSEMBLEJOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (49): : 12959 - 12966TOBIAS, DJMARTYNA, GJKLEIN, ML
- [38] MOLECULAR-DYNAMICS FREE-ENERGY STUDY OF A PROTEIN IN SOLUTION WITH ALL DEGREES OF FREEDOM AND LONG-RANGE COULOMB INTERACTIONSJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (46): : 17043 - 17048SAITO, M
- [39] Folding free-energy landscape of an alpha/beta fold protein from replica exchange molecular dynamics simulationsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238Wu, ChunBowers, Michael T.Shea, Joan-Emma