PROTEIN MODEL STRUCTURE EVALUATION USING THE SOLVATION FREE-ENERGY OF FOLDING

被引：95

作者：

CHICHE, L ^{[1
]}

GREGORET, LM ^{[1
]}

COHEN, FE ^{[1
]}

KOLLMAN, PA ^{[1
]}

机构：

[1] UNIV CALIF SAN FRANCISCO,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 1990年 / 87卷 / 08期

关键词：

Chain folding; Solvent accessibility;

D O I：

10.1073/pnas.87.8.3240

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

A systematic study of solvation free energy of folding for proteins with known cristallographic structures is presented. There is a linear relationship between the solvation free energy of folding and the protein size. This relationship, which can be rationalized by a simple model of chain folding, allows prediction of the solvation free energy of folding for proteins for which no high resolution structures are available. All misfolded structures analyzed show solvation free energies higher than predicted; however, some of the misfolded structures have values close enough to the predicted values so that one must be very careful when using such a criterion to check the correctness of a protein model.

引用

页码：3240 / 3243

页数：4

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