The first OpenBind release: An open experimental structure-affinity dataset and benchmark for structure-based AI
Jochem Nelen, Omeir Khan, E. Charles Adams, Jasmin Cara Aschenbrenner, Warren Athol Thompson, Ali Ebrahim, Eda Çapkın, Cédric Vallée, OpenBind, Elizabeth J. Shotton, Ed Griffen, John D. Chodera, Charlotte Mary Deane, F. von Delft, Mohammed AlQuraishi, 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.
bioRxiv · Sep 1, 2026 · PreprintBioinformatics✦ In-depth digest