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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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Bibliographic Details
Published in:J Phys Chem B
Main Authors: Baronio, Cesare M., Barth, Andreas
Format: Artigo
Language:Inglês
Published: American Chemical Society 2020
Online Access: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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