Journal of Biomolecular NMR

, Volume 2, Issue 4, pp 335–348

Dynamic properties of salmon calcitonin bound to sodium dodecyl sulfate micelles: A restrained molecular dynamics study from NMR data

  • Maria A. Castiglione Morelli
  • Annalisa Pastore
  • Andrea Motta
Research Papers

DOI: 10.1007/BF01874812

Cite this article as:
Castiglione Morelli, M.A., Pastore, A. & Motta, A. J Biomol NMR (1992) 2: 335. doi:10.1007/BF01874812

Summary

We have investigated the conformational behaviour of salmon calcitonin bound to sodium dodecyl sulfate micelles by means of restrained molecular dynamics simulations with both ‘static’ and time-averagen NMR distance restraints. A more realistic picture of the inherent flexibility of the hormone is obtained when using time averaging. With this apprach. long-range NOEs are interpreted better considering a dynamical exchange among different conformations.

Keywords

Molecular dynamics Time-averaged distance NMR restraints Calcitonin Conformational flexibility SDS 

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Copyright information

© ESCOM Science Publishers B.V 1992

Authors and Affiliations

  • Maria A. Castiglione Morelli
    • 1
  • Annalisa Pastore
    • 1
  • Andrea Motta
    • 2
  1. 1.European Molecular Biology LaboratoryHeidelbergGermany
  2. 2.Istituto per la Chimical di Molecole di Interesse Biologico del CNRArco Felice (Napoli)Italy
  3. 3.Dipartimento di ChimicaUniverisitá della BasilicataPotenzaItaly

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