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.

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

PASTORE, ANNALISA;
1992-01-01

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.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/1106878
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