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The Amide I Spectrum of Proteins—Optimization of Transition Dipole Coupling Parameters Using Density Functional Theory Calculations

[Image: see text] The amide I region of the infrared spectrum is related to the protein backbone conformation and can provide important structural information. However, the interpretation of the experimental results is hampered because the theoretical description of the amide I spectrum is still und...

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Detalles Bibliográficos
Autores principales: Baronio, Cesare M., Barth, Andreas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7307917/
https://www.ncbi.nlm.nih.gov/pubmed/32040320
http://dx.doi.org/10.1021/acs.jpcb.9b11793