Comparison of the ELP and multicanonical methods in simulation of the heptapeptide deltorphin

被引：14
|
作者：
Arkin, H [1 ]
Çelik, T [1 ]
机构：
[1] Hacettepe Univ, Dept Phys, TR-06532 Ankara, Turkey
来源：
EUROPEAN PHYSICAL JOURNAL B | 2002年 / 30卷 / 04期
关键词：
D O I：
10.1140/epjb/e2002-00416-2
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
To investigate the performance of the energy landscape paving (ELP) procedure for peptides, we apply it here to deltorphin, a linear heptapeptide with bulky side chains (H-Tyr(1)-D-Met(2)-Phe(3)-His(4)-Leu(5)-Met(6)-Asp(7)-NH2) and compare the results with the Multicanonical method (MUCA) in regard of finding the low-energy structures. Deltorphin is modeled in vacuum by the potential energy function ECEPP.
引用
收藏
页码：577 / 580
页数：4
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