Author

Tetsuya Sakurai

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Oct 2026

Interpretable Protein−Nucleic Acid Binding Site Prediction via Domain-Guided Multimodal Learning

Accurate identification of protein−nucleic acid binding sites is essential for elucidating molecular mechanisms and for enabling structure-based drug discovery. Existing computational approaches struggle to jointly model sequence, structure, and domain knowledge, which limits both predictive accuracy and interpretabi...

Wen-Yu Xi, Ru-Heng Wang, Xiu-Cai Ye et al. · ACS Synthetic Biology · 0 citations

Open access Jul 2026

ColdstartMHDTI: integrating biomolecular pretraining and attention-based heterogeneous graph learning for drug–target interaction prediction

ColdstartMHDTI is proposed, a two-stage framework for heterogeneous-graph-based DTI prediction that integrates sequence-derived structural representations with local and global relational information and supports candidate prioritization for downstream screening and evidence-guided hypothesis generation.

Hongyang Yang, Xiucai Ye, Huipu Han et al. · Frontiers in Chemistry · 0 citations