Mapping the population of protein conformational energy sub-States from NMR dipolar couplings.
 

From Mendeley Biomolecular NMR group:

Mapping the population of protein conformational energy sub-States from NMR dipolar couplings.

Angewandte Chemie (International ed. in English) (2013). Volume: 52, Issue: 11. Pages: 3181-5. Paul Guerry, Loïc Salmon, Luca Mollica, Jose-Luis Ortega Roldan, Phineus Markwick, Nico a J van Nuland, J Andrew McCammon, Martin Blackledge et al.

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.

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