分子对接方法的应用与发展

Applications and Developments of Molecular Docking Method

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.