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Biomolecular Structure and Dynamics pp 179–186Cite as

GMMX Conformation Searching and Prediction of NMR Proton-Proton Coupling Constants

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Part of the book series: NATO ASI Series ((NSSE,volume 342))

Abstract

This work discusses the use of vicinal 3JHH coupling constant equations as applied to flavan-3-ols and flexible monosaccarides. Prediction of vicinal coupling constants for (+)-catechin and D-glucitol are discussed using the GMMX searching methodology. Other extended Karplus coupling equations are reviewed.

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Author information

Authors and Affiliations

  1. Department of Chemistry, Pacific Lutheran University, Tacoma, WA, 98447, USA

    Fred L. Tobiason

  2. CRESiMM, Department of Chemistry, University of Science and Technology, Lille 1, 59655, Villeneuve D’ASCQ Cedex, France

    Gérard Vergoten

Authors
  1. Fred L. Tobiason
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  2. Gérard Vergoten
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Editor information

Editors and Affiliations

  1. CRESIMM, Lille, Villeneuve d’Ascq, France

    Gérard Vergoten

  2. Department of Chemistry, University of Science and Technology, Lille, Villeneuve d’Ascq, France

    Gérard Vergoten

  3. Chemical Engineering Department, National Technical University of Athens, Zografou, Athens, Greece

    Theophile Theophanides

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© 1997 Springer Science+Business Media Dordrecht

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Tobiason, F.L., Vergoten, G. (1997). GMMX Conformation Searching and Prediction of NMR Proton-Proton Coupling Constants. In: Vergoten, G., Theophanides, T. (eds) Biomolecular Structure and Dynamics. NATO ASI Series, vol 342. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5484-0_8

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  • DOI: https://doi.org/10.1007/978-94-011-5484-0_8

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-6307-4

  • Online ISBN: 978-94-011-5484-0

  • eBook Packages: Springer Book Archive

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