Energy landscape of a model protein
Energy landscape of a model protein
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DOI：
10.1063/1.480011
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发表时间：
1999-10-08
影响因子：
4.4
通讯作者：
Wales, DJ
中科院分区：
文献类型：
--
作者：
Miller, MA;Wales, DJ
通过构建非晶格模型蛋白质的势能面的不连通性图和考察表面上的路径组织，对势能面进行了详细的表征。结果清楚地揭示了这个系统所表现出的挫折感，并解释了为什么它不能有效地折叠到全球势能最小值。相反，当通过构建一个“Go-type”来消除挫折感时。模型中，生成的图形显示了折叠漏斗的预期特性。(C)1999年美国物理研究所。[S0021-9606(99)50638-7]。
The potential energy surface of an off-lattice model protein is characterized in detail by constructing a disconnectivity graph and by examining the organization of pathways on the surface. The results clearly reveal the frustration exhibited by this system and explain why it does not fold efficiently to the global potential energy minimum. In contrast, when the frustration is removed by constructing a "Go-type". model, the resulting graph exhibits the characteristics expected of a folding funnel. (C) 1999 American Institute of Physics. [S0021-9606(99)50638-7].