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2D-IR Experiments and Simulations of the coupling between amide-I and ionizable side chains in proteins: Application to the Villin headpiece

The carboxylate side chains of Asp and Glu have significant coupling with the amide states of the backbone of Villin headpiece. In two dimensional spectroscopy, cross peaks are observed between these side chains and the main amide-I band. To model the absorption of the side chains, the electric fiel...

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Main Authors: Bagchi, Sayan, Falvo, Cyril, Mukamel, Shaul, Hochstrasser, Robin M.
Formato: Artigo
Idioma:Inglês
Publicado: 2009
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2861833/
https://ncbi.nlm.nih.gov/pubmed/19618902
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp900245s
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