BioinformaticsbioRxivPreprint
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The first OpenBind release: An open experimental structure-affinity dataset and benchmark for structure-based AI
Jochem Nelen, Omeir Khan, E. Charles Adams…·Fergus Imrie
A public crystallographic structure and affinity dataset for enteroviral 2A protease (925 binding events, 699 compounds), with docking, cofolding and screening baselines. Fragment fine-tuning of OpenFold3-p2 improves follow-on predictions.
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