Protein Structure Elucidation from NMR Data with the Program Xplor-NIH.
 

Protein Structure Elucidation from NMR Data with the Program Xplor-NIH.

http://www.bionmr.com//www.ncbi.nlm....ringerlink.gif Related Articles Protein Structure Elucidation from NMR Data with the Program Xplor-NIH.

Methods Mol Biol. 2018;1688:311-340

Authors: Bermejo GA, Schwieters CD

Abstract
Xplor-NIH is a popular software package for biomolecular structure determination from NMR (and other) experimental data. This chapter illustrates its use with the de novo structure determination of the B1 domain of streptococcal protein G (GB1), based on distances from nuclear Overhauser effects, torsion angles from scalar couplings, and bond-vector orientations from residual dipolar couplings. Including Xplor-NIH's latest developments, a complete structure calculation script is discussed in detail, and is intended to serve as a basis for other applications.


PMID: 29151215 [PubMed - in process]



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