首页> 中文期刊> 《高等学校化学研究:英文版》 >A Global Minimization Algorithm for Empirical Contact Potential Functions

A Global Minimization Algorithm for Empirical Contact Potential Functions

         

摘要

Global minimization algorithm is indispensable for solving protein folding problems based on thermodynamic hypothesis. A contact difference(CD) based on pseudo potential function, for simulating empirical contact potential functions and testing global minimization algorithm was proposed. The present article describes a conformational sampling and global minimization algorithm, which is called WL, based on Monte Carlo simulation and simulated annealing. It can be used to locate CD′s globe minimum and refold extended protein structures, as small as 0.03 nm, from the native structures, back to ones with root mean square distance(RMSD). These results demonstrate that the global minimization problems for empirical contact potential functions may be solvable.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号