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基于药效团的三维数据库搜索
Authors
周家驹
彭涛
Publication date
1 January 2003
Publisher
Abstract
用表皮生长因子受体酪氨酸激酶抑制剂的药效团作为提问结构在三维数据库中进行了搜索.从得到的命中结构中挑选了12个化合物用柔性受体模型方法对其活性进行了预测,发现有2个化合物具有一定的预测活性.这2个化合物可能具有酪氨酸激酶抑制剂的活性,可能作为先导化合物进行结构优化
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Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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oai:ir.ipe.ac.cn:122111/44242
Last time updated on 11/04/2021
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
See this paper in CORE
Go to the repository landing page
Download from data provider
oai:ir.ipe.ac.cn:122111/35736
Last time updated on 05/12/2019
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
See this paper in CORE
Go to the repository landing page
Download from data provider
oai:ir.ipe.ac.cn:122111/44240
Last time updated on 11/04/2021