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Concepts and tools for NMR restraint analysis and validation
Sander B. Nabuurs,
Chris A.E.M. Spronk,
Gert Vriend,
Geerten W. Vuister,
Sander B. Nabuurs
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorChris A.E.M. Spronk
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorGert Vriend
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorCorresponding Author
Geerten W. Vuister
Department of Biophysical Chemistry, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Department of Biophysical Chemistry, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The NetherlandsSearch for more papers by this authorSander B. Nabuurs,
Chris A.E.M. Spronk,
Gert Vriend,
Geerten W. Vuister,
Sander B. Nabuurs
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorChris A.E.M. Spronk
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorGert Vriend
Center for Molecular and Biomolecular Informatics, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Search for more papers by this authorCorresponding Author
Geerten W. Vuister
Department of Biophysical Chemistry, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Department of Biophysical Chemistry, University of Nijmegen, Toernooiveld 1, 6525 ED Nijmegen, The NetherlandsSearch for more papers by this authorAbstract
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. © 2004 Wiley Periodicals, Inc. Concepts Magn Reson Part A 22A: 90–105, 2004.
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