分子对接方法的应用与发展  

Applications and Developments of Molecular Docking Method

作　　者：段爱霞[1] 陈晶[1] 刘宏德[1] 刘秀辉[1] 卢小泉[1] 

机构地区：[1]西北师范大学化学化工学院,甘肃兰州730070

出　　处：《分析科学学报》2009年第4期473-477,共5页Journal of Analytical Science

基　　金：国家自然科学基金(No.20775060;32335030);教育部第四届高校青年教师教学科研奖励计划(TRAPOYT)

摘　　要：分子对接方法加快了药物开发周期,具有快速、准确度高等优点。本文详述了分子对接方法的基本原理,及分子对接空间和能量的匹配要求和优化时的各种方法。综述了该方法在药物设计、药理分析和探测生命体系等方面的应用。In this article, we introduce the principle of molecular docking method and its requirements of geometry and energy in detail. Some ways of optimization are illustrated. The applications in drug design, pharmacological research and exploring life system are included. Many specific advantages of it have been demonstrated, including convenience, rapidity and high accuracy. 41 papers are cited.

关 键 词：分子对接 蛋白质 抑制剂 药物设计 

分 类 号：O657[理学—分析化学]