Mapping the Population of Protein Conformational Energy Sub-States from NMR Dipolar Couplings.
 

Mapping the Population of Protein Conformational Energy Sub-States from NMR Dipolar Couplings.

Related Articles Mapping the Population of Protein Conformational Energy Sub-States from NMR Dipolar Couplings.

Angew Chem Int Ed Engl. 2013 Feb 1;

Authors: Guerry P, Salmon L, Mollica L, Ortega Roldan JL, Markwick P, van Nuland NA, McCammon JA, Blackledge M

Abstract
Molecular dynamics: A general method for the statistical mechanical description of conformational energy landscapes of proteins in solution is proposed. This method combines NMR residual dipolar couplings (RDCs), sampling of conformational space using accelerated molecular dynamics simulation, and ensemble selection using model-free ensemble interpretation of RDCs.


PMID: 23371543 [PubMed - as supplied by publisher]



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