ArticlebioRxiv : the preprint server for biology2026
ExplainBind: Explainable Physicochemical Determinants of Protein-Ligand Binding via Non-Covalent Interactions.
Article in bioRxiv : the preprint server for biology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
14 authors.
Funding
Abstract
Protein-ligand binding governs enzymatic catalysis, metabolic homeostasis, and therapeutic modulation. Thus, the accurate prediction of these interactions underpins modern rational drug discovery. However, existing deep-learning frameworks largely operate as black-box predictors that fail to resolve the individual residues mediating binding or decode the fundamental non-covalent forces that drive molecular recognition. To address these limitations, we present
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.