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Structural insights for designed alanine-rich helices: Comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation

The temperature dependence of helical propensities for the peptides Ac-ZGG-(KAAAA)(3)X-NH(2) (Z = Y or G, X = A, K, and d-Arg) were studied both experimentally and by molecular dynamics simulations. Good agreement is observed in both the absolute helical propensities as well as relative helical cont...

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Detalhes bibliográficos
Main Authors: Song, Kun, Stewart, James M., Fesinmeyer, R. Matthew, Andersen, Niels H., Simmerling, Carlos
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3816200/
https://ncbi.nlm.nih.gov/pubmed/18428207
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/bip.21004
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