A Global Minimization Algorithm for Empirical Contact Potential Functions |
| |
Authors: | Yu-hong WANG Wei LI |
| |
Institution: | aDepartment of Molecular Biology, College of Life Sciences, Jilin University, Changchun 130021, P. R. China |
| |
Abstract: | 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. Itcan 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. |
| |
Keywords: | Global minimization Contact potential function Simulated annealing Monte Carlo simulation |
本文献已被 CNKI 维普 万方数据 ScienceDirect 等数据库收录! |
|