Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation
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针对蛋白质序列的活性化合物的计算筛选:方法学和实验验证

DOI:
10.1021/ci200264h
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发表时间:
2011-10
影响因子:
5.6
通讯作者:
Zhang, Jian
Zhang, Jian
中科院分区:
化学2区
文献类型:
--
作者:
Jiang, Hualiang;Liu, Dongxiang;Wang, Heyao;Luo, Cheng;Zheng, Mingyue;Liu, Hong;Zhu, Weiliang;Luo, Xiaomin;Zhang, Jian

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到目前为止,大多数蛋白质靶点的三维(3D)结构尚未确定,其中许多甚至没有已知的配体,这是在缺乏三维信息的情况下预测配体-蛋白质相互作用的真正通用方法
The three-dimensional (3D) structures of most protein targets have not been determined so far, with many of them not even having a known ligand, a truly general method to predict ligand-protein interactions in the absence of three-dimensional information
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