Protein simulations combining an all-atom force field with a Go term

被引：14
|
作者：
Meinke, Jan H.
Hansmann, Ulrich H. E.
机构：
[1] Forschungszentrum Julich, John Von Neumann Inst Comp, D-52425 Julich, Germany
[2] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2007年 / 19卷 / 28期
关键词：
D O I：
10.1088/0953-8984/19/28/285215
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Using a variant of parallel tempering, we study the changes in sampling within a simulation, when the all- atom model is coupled to a Go- like potential. We find that the native structure is not the lowest- energy configuration in the all- atom force field. Adding a Go term deforms the energy landscape in such a way that the native configuration becomes the global minimum but does not lead to faster thermalization.
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页数：9
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