Solvent effects on conformational stability of peptides: RISM analyses

被引：8

作者：

Kinoshita, M ^{[1
]}

Okamoto, Y

Hirata, F

机构：

[1] Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan

[2] Inst Mol Sci, Okazaki, Aichi 4448585, Japan

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2001年 / 90卷 / 1-3期

关键词：

D O I：

10.1016/S0167-7322(01)00122-2

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：

We describe features of our methodology for predicting tertiary structures (i.e., conformations) of proteins in solvent just from the amino-acid sequences and molecular models for the solvent. The methodology, which is a combination of the Monte Carlo simulated annealing technique and the reference interaction site model theory, is illustrated for the small peptides, Met-enkephalin and C-peptide. Important roles played by water are discussed, and the alcohol effects on peptide conformations are newly analyzed. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：195 / 204

页数：10

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