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Capping Parallel β-Sheets of Acetyl(Ala)(6)NH(2) with an Acetyl(Ala)(5)ProNH(2) Can Arrest the Growth of the Sheet, Suggesting a Potential for Curtailing Amyloid Growth. An ONIOM and Density Functional Theory Study
[Image: see text] We present ONIOM calculations using B3LYP/d95(d,p) as the high level and AM1 as the medium level on parallel β-sheets containing four strands of Ac-AAAAAA-NH(2) capped with either Ac-AAPAAA-NH(2) or Ac-AAAPAA-NH(2). Because Pro can form H-bonds from only one side of the peptide lin...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985835/ https://www.ncbi.nlm.nih.gov/pubmed/24422496 http://dx.doi.org/10.1021/bi401366w |