Compound case studies
A case file for each molecule we've studied in depth — its 2D structure, its co-folded 3D pose in the PGK2 pocket where we have one, every signal we computed, and — honestly — what we know, what we don't, and what the challenge has told us. 60 compounds; 40 with 3D poses. Sorted by structural (Boltz) binding confidence.
Known = signals we computedUnknown = the hidden off-DNA confirmation labelTold = challenge feedback (submissions scored 0 → any submitted compound is a confirmed non-binder)