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Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide

The vibrational spectrum of the Ala-Leu-Ala-Leu peptide in solution, computed from first-principles simulations, shows a prominent band in the amide I region that is assigned to stretching of carbonyl groups. Close inspection reveals combined but slightly different contributions by the three carbony...

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Detalles Bibliográficos
Autores principales:	Hassan, Irtaza, Ferraro, Federica, Imhof, Petra
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8068333/ https://www.ncbi.nlm.nih.gov/pubmed/33917998 http://dx.doi.org/10.3390/molecules26082148

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