Determination of protein structures consistent with NMR order parameters.
Related Articles Determination of protein structures consistent with NMR order parameters.
J Am Chem Soc. 2004 Jul 7;126(26):8090-1
Authors: Best RB, Vendruscolo M
Order parameters obtained from NMR experiments characterize distributions of bond vector orientations. Their interpretation, however, usually requires the assumption of a particular motional model. We propose a multiple-copy simulation method in which the experimental order parameters are used as restraints in conjunction with a standard molecular force field. The latter effectively acts as a sophisticated motional model, allowing ensembles of structures consistent with the experimental order parameters to be determined.
PMID: 15225030 [PubMed - indexed for MEDLINE]
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PubMed