ELECTROSTATIC SOLVATION FREE-ENERGY - A COMPARISON OF CONTINUUM AND FREE-ENERGY PERTURBATION-METHODS

被引:0
|
作者
JEANCHARLES, A [1 ]
TEMPCZYK, A [1 ]
STILL, C [1 ]
SHARP, K [1 ]
HONIG, B [1 ]
机构
[1] COLUMBIA UNIV,DEPT BIOCHEM,NEW YORK,NY 10027
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:A79 / A79
页数:1
相关论文
共 50 条
  • [31] Appropriate methods to combine forward and reverse free-energy perturbation averages
    Lu, ND
    Singh, JK
    Kofke, DA
    JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (07): : 2977 - 2984
  • [32] NONEQUILIBRIUM SOLVATION AND THERMODYNAMIC INTEGRATION FREE-ENERGY CALCULATIONS
    RAINERI, FO
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 260 - PHYS
  • [33] FREE-ENERGY OF THE SOLVATION OF AROMATIC-COMPOUNDS AND THEIR POLARIZABILITY
    GORBACHUK, VV
    SMIRNOV, SA
    SOLOMONOV, BN
    KONOVALOV, AI
    DOKLADY AKADEMII NAUK SSSR, 1988, 300 (05): : 1167 - 1169
  • [34] COMPUTER-SIMULATIONS APPLIED TO SITE SPECIFIC MUTAGENESIS AND LIGAND-BINDING - THE USE OF FREE-ENERGY PERTURBATION-METHODS
    KOLLMAN, P
    ADVANCES IN PROTEIN DESIGN : INTERNATIONAL WORKSHOP 1988, 1989, 12 : 57 - 64
  • [35] Variation of surface partition in GEPOL: effects on solvation free energy and free-energy profiles
    Christian S. Pomelli
    Jacopo Tomasi
    Theoretical Chemistry Accounts, 1998, 99 : 34 - 43
  • [36] Variation of surface partition in GEPOL: effects on solvation free energy and free-energy profiles
    Pomelli, CS
    Tomasi, J
    THEORETICAL CHEMISTRY ACCOUNTS, 1998, 99 (01) : 34 - 43
  • [37] FREE-ENERGY FOR EVER
    OGDEN, F
    ELECTRONICS WORLD & WIRELESS WORLD, 1991, 97 (1659): : 10 - &
  • [38] FREE-ENERGY OF ELECTRETS
    DREYFUS, G
    LEWINER, J
    PHYSICAL REVIEW B, 1976, 14 (12): : 5451 - 5457
  • [39] SOLVENT REORGANIZATION ENERGY - THE FREE-ENERGY OF FLUCTUATION OR THE DIFFERENCE IN SOLVATION ENERGIES
    KUZNETSOV, AM
    ULSTRUP, J
    SOVIET ELECTROCHEMISTRY, 1985, 21 (05): : 578 - 582
  • [40] THE FREE-ENERGY DENSITY
    LOVETT, R
    BAUS, M
    PHYSICA A, 1993, 196 (03): : 368 - 374