Generic protein–ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling

已完结 10 由 Kitty 发布于 2025/9/12 21:49:28

DOI:10.1038/s42256-024-00849-z
作者：Duanhua Cao, Geng Chen, Jiaxin Jiang, Jie Yu, Runze Zhang, Mingan Chen, Wei Zhang, Lifan Chen, Feisheng Zhong, Yingying Zhang, Chenghao Lu, Xuton
文献类型：期刊论文
补充材料：只需要正文

Nature

Abstract：Developing robust methods for evaluating protein–ligand interactions has been a long-standing problem. Data-driven methods may memorize ligand and protein training data rather than learning

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