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化学进展 1998, Vol. 10 Issue (04): 427- 前一篇   后一篇

• 综述与评论 •

配体-受体相互作用的计算机模拟及其在药物设计中的应用

蒋华良;胡增建;陈建忠;顾健德; 朱维良;陈凯先;嵇汝运   

  1. 中国科学院上海药物研究所 上海 200031
  • 收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:1998-11-24 发布日期:1998-11-24
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导出 被引次数 ( 127 | 3 )

Computer Modeling for Interaction of Ligands and Receptors and Their Applications in Drug Design

Jiang Hualiang;Hu Zengjian;Chen Jianzhong;Gu Jiande;Zhu Weiliang;Chen Kaixian;Ji Ruyun   

  1. Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 200031, China
  • Received:1900-01-01 Revised:1900-01-01 Online:1998-11-24 Published:1998-11-24

配体-受体相互作用在许多生物过程中起重要作用, 计算机分子模拟技术和理论化学计算方法在配体-受体相互作用研究中得到了广泛的应用。本文综述了有关配体-受体相互作用分子模拟和理论计算的常用方法及其在药物设计中的应用。

关键词： 配体-受体相互作用, 分子模拟, 理论计算, 药物设计

The interaction of ligands with their receptor macromolecules are central to most of biological processes. Nowadays, there are accumulating evidences of that ligand-receptor interaction can be simulated with computer modeling and theoretical calculation methods. Some of these methods and their applications in drug design were reviewed in this paper.

Key words: ligand-receptor interaction, molecularmodeling, theoretical calculation, drug design

中图分类号: 

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