蛋白质折叠问题的能量函数优化模型  

Optimal Model of Energy Function on Protein Folding

作　　者：武瑞婵[1] 

机构地区：[1]襄樊学院数学系,襄樊441053

出　　处：《武汉理工大学学报》2009年第20期161-164,共4页Journal of Wuhan University of Technology

基　　金：国家自然科学基金(70371063)

摘　　要：为降低蛋白质折叠模型的复杂性,固定了蛋白质能量表面某些相对次要的自由度,根据真实蛋白质结构及HP格子模型的特点,对原有的势能函数作了适当的简化,给出了一种简化能量函数。通过实例证明,这种简化能量函数可以简便地计算出蛋白质折叠结构中能量的最小值,提高了确定蛋白质折叠结构的效率。The model of protein folding is very complicated, so how to reduce the complexity of this modal is considered. This paper firstly reduces the molecular freedom of the surface of protein energy, and then predigests former energy function. At last, a simple energy function is presented according to the character of protein structure and HP lattice model. The example indicates that this function can figure out the minimal free energy easily and it also can improve the efficiency to find the folding structure of protein.

关 键 词：经验势能函数 平均势能函数 简化势能函数 HP格子模型 

分 类 号：TP301.6[自动化与计算机技术—计算机系统结构]