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Dynamic properties of salmon calcitonin bound to sodium dodecyl sulfate micelles: a restrained molecular dynamics
M A Castiglione Morelli1, A Pastore, A Motta
1European Molecular Biology Laboratory, Heidelberg, Germany.
Journal of Biomolecular NMR
|July 1, 1992
Abstract:
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-averaged NMR distance restraints. A more realistic picture of the inherent flexibility of the hormone is obtained when using time averaging. With this approach, long-range NOEs are interpreted better by considering a dynamical exchange among different conformations.