NMR-based modeling and refinement of protein 3D structures.

TitleNMR-based modeling and refinement of protein 3D structures.
Publication TypeJournal Article
Year of Publication2015
AuthorsVranken, W. F., G. W. Vuister, and A. M. J. J. Bonvin
JournalMethods Mol Biol
Date Published2015

NMR is a well-established method to characterize the structure and dynamics of biomolecules in solution. High-quality structures can now be produced thanks to both experimental advances and computational developments that incorporate new NMR parameters and improved protocols and force fields in the structure calculation and refinement process. In this chapter, we give a short overview of the various types of NMR data that can provide structural information, and then focus on the structure calculation methodology itself. We discuss and illustrate with tutorial examples "classical" structure calculation, refinement, and structure validation approaches.

Alternate JournalMethods Mol. Biol.
PubMed ID25330971
Grant ListBB/J007897/1 / / Biotechnology and Biological Sciences Research Council / United Kingdom
Research group: