DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
复制标题
DOI：
10.1093/bioinformatics/bts310
复制
发表时间：
2012-08-01
期刊：
影响因子：
5.8
通讯作者：
Rarey, Matthias
中科院分区：
文献类型：
--
作者：
Volkamer, Andrea;Kuhn, Daniel;Rarey, Matthias
动机：许多药物发现项目失败，因为最终发现潜在的目标是不可治愈的。蛋白质结构解析的进展开辟了一条基于结构的自动目标评估的途径。DoGSiteScorer是一种新开发的自动工具，结合了口袋预测，表征和可药用性估计，现在可以通过Web服务器获得。
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.