Concepts and tools for NMR restraint analysis and validation

S.B. Nabuurs, C.A.E.M. Spronk, G. Vriend and G.W. Vuister. (2004)
Concepts in Magnetic Resonance, 22A (2), 90-105.
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Abstract

The quality of NMR-derived biomolecular structure models can be assessed by validation on the level of structural characteristics as well as the NMR data used to derive the structure models. Here, an overview is given of the common methods to validate experimental NMR data. These methods provide measures of quality and goodness of fit of the structure to the data. A detailed discussion is given of newly developed methods to assess the information contained in experimental NMR restraints, which provide powerful tools for validation and error analysis in NMR structure determination.

Link to resource: http://onlinelibrary.wiley.com/doi/10.1002/cmr.a.20016/abstract