A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structure.


The extended amide III region in vibrational spectra of polypeptides and proteins is particularly sensitive to changes in secondary structure. To investigate this structural sensitivity, we have performed density-functional calculations on the small model compound N-acetyl-l-alanine-N-methylamide, which are analyzed using the recently developed analysis in… (More)
DOI: 10.1021/jp104542w


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