How does it really move? Recent progress in the investigation of protein nanosecond dynamics by NMR and simulation
Abstract
Nuclear magnetic resonance (NMR) spin relaxation experi-ments currently probe molecular motions on timescales from picoseconds to nanoseconds. The detailed interpretation of these motions in atomic detail benefits from complementarity with the results from molecular dynamics (MD) simulations. In this mini-review, we describe the recent developments in experimental techniques to study the backbone dynamics from 15N relaxation and side-chain dynamics from 13C relaxation, discuss the different analysis approaches from model-free to dynamics detectors, and highlight the many ways that NMR relaxation experiments and MD simulations can be used together to improve the interpretation and gain insights into protein dynamics. Show more
Publication status
publishedExternal links
Journal / series
Current Opinion in Structural BiologyVolume
Pages / Article No.
Publisher
ElsevierSubject
Protein dynamics; NMR spectroscopy; Molecular dynamics simulations; NMR relaxationOrganisational unit
09458 - Riniker, Sereina Z. / Riniker, Sereina Z.
Funding
899683 - FET Open – Novel ideas for radically new technologies (EC)
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