One pocket a day, picked by a published rule and never by hand. A real protein with a drug already sitting in it, the box drawn from that drug's own heavy atoms, and the drug re-docked five times at seed 42 to fix the number everyone is trying to beat.
Beat it by 0.5 kcal/mol and the escrow pays you in the same transaction that writes the record. A docking score is a proxy for binding, not a measurement of it, and it is gameable; the filters and the cap of 35 heavy atoms are what keep the winners inside drug-like space.
Open Targets gives the associations for the day's disease. We keep the targets whose small-molecule tractability says Structure with Ligand and either High-Quality Pocket or High-Quality Ligand, map them to UniProt, and ask RCSB for X-ray entries at 2.5 A or better that carry a non-polymer entity, best resolution first.
The pocket ligand is the largest non-polymer component that is not on the published additive blocklist, and it has to pass the verifier's own parse and filters, so the reference is always a drug-like molecule. The receptor is its chain with waters and heteroatoms stripped, protonated at pH 7.4. The box is the ligand's heavy-atom centroid with its extent plus 10 A, floored at 22 A. Five re-docks at seed 42 have to return the same number or the target is skipped. The whole rule is in the docs.
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