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

页码：577 / 580

页数：4

共 25 条

[1]

BERG BA, 2000, FIELDS I COMMUN, V26, P1

[2]

Hansmann U. H. E., 1999, ANN REV COMPUTATIONA, VVI, P129

[3] PREDICTION OF PEPTIDE CONFORMATION BY MULTICANONICAL ALGORITHM - NEW APPROACH TO THE MULTIPLE-MINIMA PROBLEM [J].