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化学进展 1998, Vol. 10 Issue (01): 55- 前一篇   后一篇

• 综述与评论 •

三维定量结构-活性关系研究中的受体作用位点模型方法

任天瑞;陈红明;谢桂荣;周家驹;许志宏   

  1. 中科院化工冶金所
  • 收稿日期:1997-04-01 修回日期:1997-10-01 出版日期:1998-03-24 发布日期:1998-03-24
下载PDF ( 1446 ) 引用
导出 被引次数 ( 55 | 5 )

The Receptor Site ModelMethod in 3D-QSAR Research

Zhou Jiaju;Chen Hongming;Xie Guirong;Ren Tianrui;Xu Zhihong   

  1. Laboratory of Computer Chemistry, Institute of Chemical Metallurgy,Chinese Academy of Sciences, Beijing 100080, China
  • Received:1997-04-01 Revised:1997-10-01 Online:1998-03-24 Published:1998-03-24

综述了三维定量构效关系研究的最新进展以及受体作用位点模型方法在3D2Q SAR 中的应用。重点介绍了Compass、GERM 和RSM 3 种新的建立受体作用位点模型的算法, 这些方法对于受体的三维结构未知情况下的Q SAR 研究提供了新的思路。

关键词： 受体作用位点模型, 三维定量结构-活性关系

The recent progress of the 3D2QSAR research and the applications of the method of receptor sitemodel in 3D2Q SAR research have been reviewed. Compass, GERM and RSM algorithms for building receptor sitemodel were introduced. Thesem ethods provide a new idea to the QSAR research under the condition that the three dimensional structure of receptor is unknown.

Key words: receptor site model, 3D2Q SAR

中图分类号: 

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[1] 孙红梅,谢前,周家驹,许志宏. 三维定量结构-活性关系研究的近况*[J]. 化学进展, 1996, 8(01): 79-.