基于改进的克隆选择算法的分子对接设计与实现  

The design and implementation of molecular docking based on improved clonal selection algorithm

作　　者：董强[1] 叶少珍[1] 

机构地区：[1]福州大学数学与计算机科学学院,福建福州350108

出　　处：《福州大学学报（自然科学版）》2011年第3期355-360,共6页Journal of Fuzhou University(Natural Science Edition)

基　　金：福建省自然科学基金资助项目(2009J01282);福建省科技平台建设基金资助项目(2008J1005)

摘　　要：详述了分子对接方法的基本原理,讨论分子对接过程中两个要素:评分函数和构象搜索算法.利用经验结合自由能的评价函数,对分子对接软件Auto Dock原有模型进行了改进.通过对评分函数的改进,用改进的克隆选择算法作为分子对接过程中的构象搜索算法.经实验效果对比,此方法寻优能力较好.This article details the basic principles of molecular docking methods, to discuss the process of molecular docking of two dements： scoring functions and conformational search algorithm. In this paper, the evaluation experience of binding free energy function, molecular docking software Auto Dock on the original model was improved through the improvement of the score function, with improved clonal selection algorithm as a process of molecular docking conformational search algorithm, the experimental results contrast, this method proved better searching capability.

关 键 词：分子对接 评分函数 构象搜索算法 克隆选择算法 

分 类 号：TP319[自动化与计算机技术—计算机软件与理论]