AlphaFold3 guided by NMR, X-ray and cryo-EM data resolves protein ensembles
mmbronstein · x · 2026-11-03
A Technion team (Maddipatla, Vedula, Bronstein et al.) published "Experiment-guided AlphaFold3 resolves measurement-consistent protein ensembles" in Nature Biotechnology; the authors present it at an ML4Proteins webinar Nov 3, 1pm PT. AlphaFold3 tends to collapse to a single dominant conformation and ignores experimental conditions. The paper shows it can be guided by NMR, X-ray crystallography, cryo-EM data (and combinations) to produce compact, measurement-consistent conformational ensembles, and can even incorporate dynamics data like site-resolved order parameters. Open access; 34k accesses, 16 citations.
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