Performance of 3D-database molecular docking studies into homology models

被引：80

作者：

Oshiro, C ^{[1
]}

Bradley, EK ^{[1
]}

Eksterowicz, J ^{[1
]}

Evensen, E ^{[1
]}

Lamb, ML ^{[1
]}

Lanctot, JK ^{[1
]}

Putta, S ^{[1
]}

Stanton, R ^{[1
]}

Grootenhuis, PDJ ^{[1
]}

机构：

[1] Deltagen Res Labs, Redwood City, CA 94063 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2004年 / 47卷 / 03期

关键词：

D O I：

10.1021/jm0300781

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The performance of docking studies into protein active sites constructed by homology model building was investigated using CDK2 and factor VIIa screening data sets. When the sequence identity between model and template near the binding site area is greater than approximately 50%, roughly 5 times more active compounds are identified than would be found randomly. This performance is comparable to docking to crystal structures.

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收藏

页码：764 / 767

页数：4

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