Efficient and accurate large library ligand docking with KarmaDock

已完结 10 由凝霜发布于 2025/3/19 13:48:39

DOI:10.1038/s43588-023-00511-5
作者：Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu,&
文献类型：期刊论文
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Nature

Abstract：Ligand docking is one of the core technologies in structure-based virtual screening for drug discovery. However, conventional docking tools and existing deep learning tools may suffer from l

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