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DUW-MGCA: A Dynamic Uncertainty-Weighted Multi-Granularity Coattention Framework for Protein-Ligand Interaction Prediction from Hybrid QM/MD Data

Bo Tan, Yupeng Niu, Zhuolun He. DUW-MGCA: A Dynamic Uncertainty-Weighted Multi-Granularity Coattention Framework for Protein-Ligand Interaction Prediction from Hybrid QM/MD Data. Journal of Chemical Information and Computer Sciences, 66(8):4913-4931, 2026. [doi]

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