James Fraser @fraserlab.com · Dec 29 Test 1: 557 ligand-protein complexes. More often than not, co-folding gets the pose right (AF3 > Chai > Boltz). Docking doesn’t do quite as well (~40%). This is judged by the 2Å standard, which I think is pretty generous. AF3 has a sizable sub-Å population, which is amazing!
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The performance of AF3 and the YAAFCs is helped by the large training set of fragments from the original Mac1 screen (deposited before the cutoff date), so I think this is a best case scenario: pmc.ncbi.nlm.nih.gov/articles/PMC...