FREE-ENERGIES OF HYDRATION OF SOLUTE MOLECULES .1. IMPROVEMENT OF THE HYDRATION SHELL-MODEL BY EXACT COMPUTATIONS OF OVERLAPPING VOLUMES

被引:149
作者
KANG, YK [1 ]
NEMETHY, G [1 ]
SCHERAGA, HA [1 ]
机构
[1] CORNELL UNIV,BAKER LAB CHEM,ITHACA,NY 14853
关键词
D O I
10.1021/j100299a032
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
收藏
页码:4105 / 4109
页数:5
相关论文
共 35 条
[1]   COMPUTATION OF MOLECULAR VOLUME [J].
CONNOLLY, ML .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (05) :1118-1124
[2]  
Edelhoch H, 1976, Adv Protein Chem, V30, P183, DOI 10.1016/S0065-3233(08)60480-5
[3]  
EDSALL JT, 1983, ADV BIOPHYS, V16, P53
[5]   CALCULATION OF PROTEIN VOLUMES - AN ALTERNATIVE TO THE VORONOI PROCEDURE [J].
GELLATLY, BJ ;
FINNEY, JL .
JOURNAL OF MOLECULAR BIOLOGY, 1982, 161 (02) :305-322
[6]   VOLUME OF THE INTERSECTION OF 3 SPHERES OF UNEQUAL SIZE - A SIMPLIFIED FORMULA [J].
GIBSON, KD ;
SCHERAGA, HA .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (15) :4121-4122
[7]   MINIMIZATION OF POLYPEPTIDE ENERGY .I. PRELIMINARY STRUCTURES OF BOVINE PANCREATIC RIBONUCLEASE S-PEPTIDE [J].
GIBSON, KD ;
SCHERAGA, HA .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1967, 58 (02) :420-&
[8]  
HALL M, 1967, COMBINATORIAL THEORY, P8
[9]   INFLUENCE OF HYDRATION ON THE CONFORMATIONAL STABILITY AND FORMATION OF BENDS IN TERMINALLY BLOCKED DIPEPTIDES [J].
HODES, ZI ;
NEMETHY, G ;
SCHERAGA, HA .
BIOPOLYMERS, 1979, 18 (07) :1611-1634
[10]   MODEL FOR THE CONFORMATIONAL-ANALYSIS OF HYDRATED PEPTIDES - EFFECT OF HYDRATION ON THE CONFORMATIONAL STABILITY OF THE TERMINALLY BLOCKED RESIDUES OF THE 20 NATURALLY OCCURRING AMINO-ACIDS [J].
HODES, ZI ;
NEMETHY, G ;
SCHERAGA, HA .
BIOPOLYMERS, 1979, 18 (07) :1565-1610