The structure of the free energy surface of coarse-grained off-lattice protein models

被引：2
|
作者：
Akturk, Ethem
Arkin, Handan [1 ]
Celik, Tarik
机构：
[1] Univ Hacettepe, Dept Phys Engn Beytepe, TR-06100 Ankara, Turkey
[2] Turkish Acad Sci, Ankara, Turkey
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2007年 / 18卷 / 01期
关键词：
off-lattice protein models; conformational sampling; multicanonical simulation;
D O I：
10.1142/S0129183107010309
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model to study the structure and the topology of the energy surface. The multicanonical method samples the whole rugged energy landscape, in particular the low-energy part, and enables one to better understand the critical behaviors and visualize the folding pathways of the considered protein model.
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页码：99 / 106
页数：8
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