求解蛋白质折叠问题的模拟退火算法  

Simulated Annealing Algorithm for Protein Folding Problem

作　　者：陈矛[1] 黄文奇[1] 吕志鹏[1] 

机构地区：[1]华中科技大学计算机学院,湖北武汉430074

出　　处：《小型微型计算机系统》2007年第1期75-78,共4页Journal of Chinese Computer Systems

基　　金：国家自然科学基金项目(10471051)资助;国家"九七三"计划项目(2004CB318000)资助.

摘　　要：通过构造新的数学模型,把三维AB模型的蛋白质折叠问题由一个带约束的优化问题转化为无约束优化问题,然后提出一个模拟退火算法.对如何得到初始构形,提出了一个启发式策略.实算结果表明,本文算法效率较高,对四条氨基酸测试序列,本文算法得到的最低能量都要优于nPERM算法得到的结果.By constructinga new mathematic model, the protein folding problem of three-dimensional AB model is converted from a nonlinear constraint-satisfied problem to an unconstrained optimization problem. A simulated annealing algorithm is proposed for solving this unconstrained optimization problem and an effective heuristic strategy is introduced for generating better initial configuration. The computational results show that our algorithm can outperform nPERM algorithm in terms of finding states with lower energy for the four benchmark sequences.

关 键 词：蛋白质折叠问题 AB非格点模型 NP难度 

分 类 号：TP393[自动化与计算机技术—计算机应用技术]