Computational approaches to the interpretation of NMR data for studying protein dynamics
 

Computational approaches to the interpretation of NMR data for studying protein dynamics

2 March 2012
Publication year: 2012
Source:Chemical Physics, Volume 396</br>
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Experimental studies of protein structure and dynamics with NMR provide the classical example of the power of theoretical approaches for the interpretation of experimental results. In this paper we review recent developments in experimental techniques extending the applicability of NMR to the study of protein structure and motion, and advances in the theoretical description.
Graphical abstract

http://origin-ars.els-cdn.com/conten...005179-fx1.jpg Highlights

? NMR data characterize protein motion on many timescales. ? Explicit motional models remain an important means to interpret NMR data remain important. ? Molecular dynamics simulations are increasingly valuable and ultimately more powerful. ? Extended or “accelerated” MD simulations can be directly compared with experimental data for longer timescales.</br>
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