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Automated Structure Determination from NMR Spectra

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Modern Magnetic Resonance

Abstract

The steps of an NMR protein structure determination that follow data acquisition can now be performed by automated computational methods. This overview of the computational methods for NMR protein structure analysis highlights recent automated methods for signal identification in multidimensional NMR spectra, sequence-specific resonance assignment, collection of conformational restraints, and structure calculation, as implemented in the CYANA software package.

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Authors and Affiliations

  1. Institute of Biophysical Chemistry, Center for Biomolecular Magnetic Resonance, Goethe University Frankfurt am Main, Max-von-Laue-Str. 9, 60438, Frankfurt am Main, Germany

    Sina Kazemi, Julia Maren Würz, Elena Schmidt, Anurag Bagaria & Peter Güntert

  2. Frankfurt Institute for Advanced Studies, Goethe University Frankfurt am Main, Ruth-Moufang-Str. 1, 60438, Frankfurt am Main, Germany

    Sina Kazemi

  3. Laboratory of Physical Chemistry, ETH Zürich, 8093, Zürich, Switzerland

    Peter Güntert

  4. Department of Chemistry, Graduate School of Science and Engineering, Tokyo Metropolitan University, Tokyo, 192-0373, Japan

    Peter Güntert

Authors
  1. Sina Kazemi
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  2. Julia Maren Würz
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  3. Elena Schmidt
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  4. Anurag Bagaria
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  5. Peter Güntert
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Corresponding author

Correspondence to Peter Güntert .

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Editors and Affiliations

  1. Royal Society of Chemistry, London, United Kingdom

    Graham A. Webb

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Kazemi, S., Würz, J.M., Schmidt, E., Bagaria, A., Güntert, P. (2017). Automated Structure Determination from NMR Spectra. In: Webb, G. (eds) Modern Magnetic Resonance. Springer, Cham. https://doi.org/10.1007/978-3-319-28275-6_32-1

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  • DOI: https://doi.org/10.1007/978-3-319-28275-6_32-1

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  • Print ISBN: 978-3-319-28275-6

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