A fast and effective conformational search method for peptides

被引：3

作者：

Arkin, H ^{[1
]}

Çelik, T ^{[1
]}

机构：

[1] Hacettepe Univ, Dept Engn Phys, TR-06532 Ankara, Turkey

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2003年 / 14卷 / 07期

关键词：

conformation sampling; energy landscape paving; peptides; energy minimization;

D O I：

10.1142/S0129183103005121

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We propose a hybrid algorithm, which combines the features of the energy landscape paving (ELP) and Monte Carlo Minimization (MCM) methods. We have tested its performance in studying the low-energy conformations of the heptapeptide deltorphin.

引用

页码：985 / 991

页数：7

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