一种基于改进多亲遗传算法的分子对接构象搜索策略  

A Molecular Docking'S Conformational Search Strategy Based on Improved Multi-Parent Genetic Algorithm

作　　者：刘燕茹[1] 梁晓燕[2] 石继飞[1] 罗利霞[1] 李丽娜[1] 

机构地区：[1]包头医学院医学技术学院,内蒙古包头014040 [2]内蒙古师范大学传媒学院,内蒙古呼和浩特010022

出　　处：《内蒙古师范大学学报（自然科学汉文版）》2015年第2期235-239,共5页Journal of Inner Mongolia Normal University(Natural Science Edition)

基　　金：内蒙古高等学校科学研究项目(NJZY14266)

摘　　要：为提高分子对接的速度和精度,设计并实现了一种基于改进多亲遗传算法的分子对接构象搜索策略.应用该方法对布克海文蛋白质数据库中的6种蛋白质—配体复合物进行测试,将实验结果与AutoDock 3.0和模拟退火算法进行比较析,结果表明该对接策略具有更快的收敛速度和更好的寻优能力.In order to improve the speed and accuracy of molecular docking,A conformational search strategy was designed and realized in molecular docking by the article,which was based on improved Multi-Parent Genetic algorithm.Tests were conducted on six protein—ligands complex from the Brookhaven PDB protein database.The algorithm was compared with the AutoDock3.0 and the simulated annealing algo-rithm.Experimental results show that the docking strategy has the fastest convergence rate and the best optimization ability.

关 键 词：多亲遗传算法 分子对接 构象搜索 免疫 自适应 

分 类 号：TP301.6[自动化与计算机技术—计算机系统结构]