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
收藏
页码：985 / 991
页数：7
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