CROWN: Curated Repository Of Well-resolved Noncovalent interactions
Robin Poelmans, Wout Van Eynde, Bence Bruncsics, Bruncsics Balint, Ádám Arany, Yves Moreau, Arnout R. D. Voet
An automated pipeline turns the PDB into 178,263 repaired, protonated, restraint-minimized protein-ligand complexes; scoring functions trained on them beat HiQBind-trained ones on CASF-2016 ranking and docking power.
bioRxiv · Sep 2, 2026 · PreprintBioinformatics✦ In-depth digest