Author

Dongjiang Niu

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Aug 2026

DSC-bsite: a dynamic-static collaborative multimodal graph learning method for protein-small molecule binding site prediction.

DSC-BSite is proposed, a dynamic-static collaborative multimodal graph learning framework for residue-level binding site prediction that achieves competitive performance across multiple evaluation metrics, with particularly strong results in Recall on UniProtSMB and Precision and MCC on SJC.

Ming-Lei Dong, Dong-Jiang Niu, Yuan-Xing Peng et al. · Molecular diversity · 0 citations

Jul 2026

Conditional molecular dynamics refinement for protein-ligand affinity prediction.

CMD-PLA is proposed as a dynamics-aware framework for protein-ligand affinity prediction, and the conformational evolution of the ligand is explicitly modeled as a pocket-dependent dynamical process rather than an isolated static update.

Hao Li, Dongjiang Niu, Xiaofeng Wang et al. · Computational biology and ch... · 0 citations