期刊
JOURNAL OF CHEMICAL INFORMATION AND MODELING
卷 52, 期 2, 页码 302-307出版社
AMER CHEMICAL SOC
DOI: 10.1021/ci200411s
关键词
-
A method for predicting the binding mode of a series of ligands is proposed. The procedure relies on three-dimensional quantitative structure activity relationships (3D-QSAR) and does not require structural knowledge of the binding site. Candidate alignments are automatically built and ranked according to a consensus scoring function. 3D-QSAR analysis based on the selected binding mode enables affinity prediction of new drug candidates having less than 10 rotatable bonds.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据