BioinformaticsbioRxivPreprint
ExplainBind: Explainable Physicochemical Determinants of Protein-Ligand Binding via Non-Covalent Interactions
Zhaohan Meng, Bai Zhen, Ke Yuan…·Joseph Loscalzo
ExplainBind predicts protein-ligand binding likelihood and identifies key residues and non-covalent interactions without structural inputs, outperforming existing methods and enabling drug discovery insights.
DOI 10.64898/2026.03.03.707476