Automatic assignment of methyl-NMR spectra of supra-molecular machines using graph theory

Methyl groups are powerful probes for the analysis of structure, dynamics and function of supramolecular assemblies, using both solution- and solid-state NMR. Widespread application of the methodology has been limited due to the challenges associated with assigning spectral resonances to specific lo...

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Bibliographic Details
Main Authors: Pritisanac, I, Degiacomi, M, Alderson, T, Carneiro, M, Ab, E, Siegal, G, Baldwin, A
Format: Journal article
Published: American Chemical Society 2017