Determination of protein structures consistent with NMR order parameters.
 

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]



Source: PubMed