A simple ansatz to describe thermodynamic quantities of peptides and proteins at low temperatures

被引：3

作者：

Hansmann, UHE ^{[1
]}

De Forcrand, P

机构：

[1] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 444, Japan

[2] ETH Zurich, Swiss Ctr Sci Comp, CH-8092 Zurich, Switzerland

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1997年 / 8卷 / 05期

关键词：

mean-field-like model for proteins; multicanonical weights;

D O I：

10.1142/S0129183197000953

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We describe a simple ansatz to approximate the low temperature behavior of proteins and peptides by a mean-field-like model which is analytically solvable. For a small peptide some thermodynamic quantities are calculated and compared with numerical results of an all-atoms simulation. Our approach can be used to determine the weights for a multicanonical simulation of the molecule under consideration.

引用

页码：1085 / 1093

页数：9

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2-T

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