THE INFLUENCE OF LONG-RANGE FORCE TRUNCATION ON THE THERMODYNAMICS OF AQUEOUS IONIC-SOLUTIONS

被引：88

作者：

BROOKS, CL

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 09期

关键词：

D O I：

10.1063/1.452636

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：5156 / 5162

页数：7

共 35 条

[1] CALCULATION OF THE RELATIVE CHANGE IN BINDING FREE-ENERGY OF A PROTEIN-INHIBITOR COMPLEX [J].

BASH, PA ;

SINGH, UC ;

BROWN, FK ;

LANGRIDGE, R ;

KOLLMAN, PA .

SCIENCE, 1987, 235 (4788) :574-576

[2]

BASH PA, UNPUB J AM CHEM SOC

[3] CONFIGURATION ENTROPY OF THE ALANINE DIPEPTIDE IN VACUUM AND IN SOLUTION - A MOLECULAR-DYNAMICS STUDY [J].

BRADY, J ;

KARPLUS, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (21) :6103-6105

[4] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[5] DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS [J].

BROOKS, CL ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6312-6325

[6] THERMODYNAMICS OF IONIC SOLVATION - MONTE-CARLO SIMULATIONS OF AQUEOUS CHLORIDE AND BROMIDE IONS [J].

BROOKS, CL .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (25) :6680-6684

[7]

BROOKS CL, 1985, J CHEM PHYS, V83, P5894

[8] OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS [J].

CHANDLER, D ;

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1930-+

[9] ENERGY COMPONENT ANALYSIS FOR DILUTE AQUEOUS-SOLUTIONS OF LI+, NA+, F-, AND CL- IONS [J].

CHANDRASEKHAR, J ;

SPELLMEYER, DC ;

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) :903-910

[10] EVALUATION OF REACTION FREE-ENERGY SURFACES IN AQUEOUS-SOLUTION - AN INTEGRAL-EQUATION APPROACH [J].

CHILES, RA ;

ROSSKY, PJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (22) :6867-6868

← 1 2 3 4 →