Equivariant Interaction-Aware Graph Network for Predicting the Binding Affinity of Protein-Ligand

Xiaoping Min, Jiajun Zou, Jun Xie, Qianli Yang, Yiyang Liao, Junjie Ying,Xiaocheng Jin, Xiaoli Lu,Jun Zhang,Hai Yu,Shengxiang Ge,Ningshao Xia

IEEE Transactions on Computational Biology and Bioinformatics（2025）

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Drug discovery,equivariant graph neural network,protein-ligand binding affinity prediction,protein-ligand interaction

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