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.
出处
《内蒙古师范大学学报（自然科学汉文版）》
CAS
北大核心
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)
关键词
多亲遗传算法
分子对接
构象搜索
免疫
自适应
multi-parent immune genetic algorithm
molecular docking
search strategy
immune
self-adaptive
