Leak Proof PDBBind: A Reorganized Data Set of Protein–Ligand Complexes for More Generalizable Binding Affinity Prediction

Jie Li, Xingyi Guan, Oufan Zhang, Kunyang Sun, Yingze Wang, Dorian Bagni, Teresa Head-Gordon

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Source: Crossref

Published: Jan 5, 2026

DOI: 10.1021/acs.jpcb.5c08598

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