POT-DMC: A virtual screening method for the identification of potent hits
POT-DMC: A virtual screening method for the identification of potent hits
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DOI：
10.1021/jm049505g
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发表时间：
2004-11-04
影响因子：
7.3
通讯作者：
Bajorath, J
中科院分区：
文献类型：
--
作者：
Godden, JW;Stahura, FL;Bajorath, J
一种基于配体的虚拟筛选(LBVS)方法，即共识位置动态映射(DMC)，已被扩展以考虑模板化合物的不同效价水平。这种效力缩放技术旨在调整搜索计算，以检测日益强大的命中。对三种不同化合物类别的LBVS分析证实了效力比例DMC(POT-DMC)能够识别具有比传统计算更高效力的活性数据库化合物。
A method for ligand-based virtual screening (LBVS), dynamic mapping of consensus positions (DMC), has been extended to take different potency levels of template compounds into account. This potency scaling technique is designed to tune search calculations toward the detection of increasingly potent hits. LBVS analysis of three different compound classes confirmed the ability of potency-scaled DMC (POT-DMC) to identify active database compounds with higher potency than conventional calculations.