NMR-based modeling and refinement of protein 3D structures
Publication date
2015-01-01
Authors
Vranken, Wim F.
Vuister, Geerten W.
Bonvin, Alexandre M J J
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Document Type
Part of book
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Abstract
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.
Keywords
NMR, Structure calculation, Structure refinement, Structure validation, Taverne, Molecular Biology, Genetics
Citation
Vranken, W F, Vuister, G W & Bonvin, A M J J 2015, NMR-based modeling and refinement of protein 3D structures. in Molecular Modeling of Proteins . Methods in Molecular Biology, vol. 1215, Humana Press, pp. 351-380. https://doi.org/10.1007/978-1-4939-1465-4_16