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
来源：
BIOPHYSICAL JOURNAL | 1990年 / 57卷 / 02期
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
  • [21] THERE IS NO FREE-ENERGY
    STOLL, A
    IEEE SPECTRUM, 1985, 22 (09) : 10 - 10
  • [22] ELECTROSTATIC GIBBS FREE-ENERGY OF SOLVATION FROM GAS-CHROMATOGRAPHIC DATA
    LISZI, J
    NEMETH, B
    JOURNAL OF CHROMATOGRAPHY, 1984, 284 (01): : 238 - 241
  • [23] SOLVATION ELECTROSTATIC FREE-ENERGY .2. INTERPRETATION OF ENERGY AND CALCULATION OF DIFFERENT MULTIPOLAR TERMS
    BLAIVE, B
    METZGER, J
    NOUVEAU JOURNAL DE CHIMIE-NEW JOURNAL OF CHEMISTRY, 1983, 7 (06): : 365 - 373
  • [24] ELECTROSTATIC CONTRIBUTIONS TO THE FREE-ENERGY OF CLUSTERING OF AN IONOMER
    DATYE, VK
    TAYLOR, PL
    MACROMOLECULES, 1985, 18 (07) : 1479 - 1482
  • [25] LEGENDRE TRANSFORMS OF ELECTROSTATIC FREE-ENERGY FUNCTIONALS
    Ciotti, Benjamin
    Li, Bo
    SIAM JOURNAL ON APPLIED MATHEMATICS, 2018, 78 (06) : 2973 - 2995
  • [26] Predicting Activity Cliffs with Free-Energy Perturbation
    Perez-Benito, Laura
    Casajuana-Martin, Nil
    Jimenez-Roses, Mireia
    van Vlijmen, Herman
    Tresadern, Gary
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (03) : 1884 - 1895
  • [27] A Toolkit for the Analysis of Free-Energy Perturbation Calculations
    Liu, Peng
    Dehez, Francois
    Cai, Wensheng
    Chipot, Christophe
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (08) : 2606 - 2616
  • [28] HYDROPHOBIC HYDRATION - A FREE-ENERGY PERTURBATION STUDY
    RAO, BG
    SINGH, UC
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (09) : 3125 - 3133
  • [29] VARIATIONAL PROPERTY OF FREE-ENERGY PERTURBATION THEORY
    FALK, H
    PHYSICAL REVIEW LETTERS, 1964, 12 (04) : 93 - &
  • [30] CHANGE OF FREE-ENERGY IN HETEROMOLECULAR NUCLEATION - ELECTROSTATIC ENERGY CONTRIBUTION
    SUCK, SH
    JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10): : 5090 - 5096
12345