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Molecular dynamics of an α-helical polypeptide: Temperature dependence and deviation from harmonic behavior

The mean square amplitudes of atomic fluctuations for a polypeptide (decaglycine) α-helix evaluated from molecular dynamics simulations at seven temperatures between 5 and 300 K are compared with analytic harmonic results and with experimental values. Above 100 K the harmonic approximation significa...

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Detalles Bibliográficos
Main Authors: Levy, Ronald M., Perahia, David, Karplus, Martin
Formato: Artigo
Idioma:Inglês
Publicado: 1982
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC345966/
https://ncbi.nlm.nih.gov/pubmed/16593164
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