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Updated: Sep 13, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Protocol for deriving distance restraints from AlphaFold for use in solution NMR structure determination
Qi-Tong Lin1, Peter B Stathopulos1
1Department of Physiology and Pharmacology, Schulich School of Medicine and Dentistry, University of Western Ontario, London, Ontario N6A5C1, Canada.
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Artificial intelligence (AI) has revolutionized structural biology but must be applied reliably. Here, we present an approach for derivation of distance restraints from AlphaFold structure predictions to aid in automated nuclear Overhauser effect (NOE) assignment during solution NMR structure determination. We describe steps for selecting reliable AlphaFold structure predictions, determination of atom distances, and generation of high-confidence distance restraints. This protocol can expedite solution NMR structure determination, reduce NOE assignment ambiguity, enhance accuracy, enable elucidation of elusive proteins, and validate structural predictions. For complete details on the use and execution of this protocol, please refer to Lin et al.1.
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