On the use of side-chain NMR relaxation data to derive structural and dynamical information on proteins: A case study using Hen Lysozyme

Values of S2CH and S2NH order parameters derived from NMR relaxation measurements on proteins cannot straightforwardly be used to determine protein structure, because they cannot be related to a single protein structure, but are defined in terms of an average over a conformational ensemble. MD simul...

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Bibliographic Details
Main Authors: Smith, LJ, van Gunsteren, WF, Hansen, N
Format: Journal article
Language:English
Published: Wiley 2020