Hidden structural states of proteins revealed by conformer selection with AlphaFold-NMR
 

Hidden structural states of proteins revealed by conformer selection with AlphaFold-NMR

We introduce AlphaFold-NMR, a novel approach to NMR structure determination that reveals previously undetected protein conformational states. Unlike conventional NMR methods which rely on NOE-derived spatial restraints, AlphaFold-NMR combines AI-driven conformational sampling with Bayesian scoring of realistic protein models against NOESY and chemical shift data. This method uncovers alternative conformational states of the enzyme Gaussia luciferase, involving large-scale changes in the lid,...

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