DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment

被引：413

作者：

Volkamer, Andrea ^{[1
]}

Kuhn, Daniel ^{[2
]}

Rippmann, Friedrich ^{[2
]}

Rarey, Matthias ^{[1
]}

机构：

[1] Univ Hamburg, Ctr Bioinformat, D-64293 Darmstadt, Germany

[2] Merck KGaA, Merck Serono, Global Computat Chem, D-64293 Darmstadt, Germany

来源：

BIOINFORMATICS | 2012年 / 28卷 / 15期

关键词：

SPATIAL-PATTERNS; POCKETS;

D O I：

10.1093/bioinformatics/bts310

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Motivation: Many drug discovery projects fail because the underlying target is finally found to be undruggable. Progress in structure elucidation of proteins now opens up a route to automatic structure-based target assessment. DoGSiteScorer is a newly developed automatic tool combining pocket prediction, characterization and druggability estimation and is now available through a web server.

引用

页码：2074 / 2075

页数：2

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