A Comparison of Three Heuristic Algorithms for Molecular Docking

被引：0
|
作者：
Ting Jun HOU
Jun Mei WANG
Xiao Jie XU(Department of Chemistry. Beida-Jiuyuan Molecular Design Laboratory. Peking University.Beijing 100871)
机构：
来源：
Chinese Chemical Letters | 1999年 / 07期
关键词：
Molecular docking; genetic algorithm; tabu search; simulated annealing;
D O I：
暂无
中图分类号：
O641 [结构化学];
学科分类号：
070304 ; 081704 ;
摘要：
Threc heuristic algorithms simulated annealing. genetic algorithm. and Tabu search werc compared to molecular docking proccdure using 3 protein-ligand systems. Statistical analysis of the results indicated that the Tabu search showed the best performance in terms of locating solutions close to the crystallographic ligand conformation. From the comparisons. a hybrid search algorithm was proposed. which gave superior results compared with any one of the algorithms alone.
引用
收藏
页码：615 / 618
页数：4
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