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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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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Baronio, Cesare M., Barth, Andreas
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7307917/
https://ncbi.nlm.nih.gov/pubmed/32040320
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b11793
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