Explainable Physicochemical Determinants of Protein Ligand Binding via Non-Covalent Interactions https://www.biorxiv.org/content/10.64898/2026.03.03.707476v1
06.03.2026 04:27
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Explainable Physicochemical Determinants of Protein Ligand Binding via Non-Covalent Interactions https://www.biorxiv.org/content/10.64898/2026.03.03.707476v1
🚀 New paper: Explainable Physicochemical Determinants of Protein–Ligand Binding via Non-Covalent Interactions
We introduce ExplainBind, an interaction-aware framework that explicitly models non-covalent interactions for explainable protein–ligand binding prediction.
Paper: doi.org/10.64898/202...
Today we have a LLMs +RecSys talk by Jianling Wang from Google Deepmind at our seminar at @irglasgow.bsky.social