Article

Inferring protein ensembles directly from NOESY spectra

2026-08-23

Abstract excerpt

Solution NMR spectroscopy provides atomistic measurements of proteins in a native-like biophysical state. Because these measurements are ensemble averages, it also has the potential to report on conformational diversity. However, conventional NMR structure determination typically converts experimental observables into restraints for molecular dynamics, which encode information on the mean structure but do not reta...

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Literature Corpus work: 9bf7a409-fe1c-5d44-8be4-c02885e38a96
DOI: 10.64898/2026.08.20.745893

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