title: Dynamic properties of salmon calcitonin bound to sodium dodecyl sulfate micelles: a restrained molecular dynamics study from NMR data.
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.
authors.affiliation: European Molecular Biology Laboratory, Heidelberg, Germany.
authors.forename: M A
authors.initials: MA
authors.lastname: Castiglione Morelli
authors.forename: A
authors.initials: A
authors.lastname: Pastore
authors.forename: A
authors.initials: A
authors.lastname: Motta
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D002116:Calcitonin / Q000737:chemistry* / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008823:Micelles; D008969:Molecular Sequence Data; D012474:Salmon; D012967:Sodium Dodecyl Sulfate / Q000378:metabolism*
chemical_list: D008823:Micelles; D012967:Sodium Dodecyl Sulfate; D002116:Calcitonin