Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model

被引:0
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作者
Ashutosh Kumar
Kam Y. J. Zhang
机构
[1] RIKEN,Laboratory for Structural Bioinformatics, Center for Biosystems Dynamics Research
关键词
Molecular docking; Pose prediction; Ligand 3D shape similarity; Drug design data resource; D3R; D3R Grand Challenge 4;
D O I
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学科分类号
摘要
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页码:1045 / 1055
页数:10
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