NMR-Based Modeling and Refinement of Protein 3D Structures

Part of the Methods in Molecular Biology book series (MIMB, volume 1215)


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.

Key words

NMR Structure calculation Structure refinement Structure validation 


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Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  1. 1.Department of Structural Biology, VIB Structural Biology BrusselsVrije Universiteit BrusselBrusselsBelgium
  2. 2.Department of Biochemistry, School of Biological SciencesUniversity of LeicesterLeicesterUK
  3. 3.Faculty of Science—Chemistry, Bijvoet Center for Biomolecular ResearchUtrecht UniversityUtrechtThe Netherlands

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