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The Folding of Acetyl(Ala)(28)NH(2) and Acetyl(Ala)(40)NH(2) Extended Strand Peptides into Antiparallel β-Sheets. A Density Functional Theory Study of β-Sheets with β-Turns
We report ONIOM calculations using B3LYP/D95** and AM1 on β-sheet formation from acetyl(Ala)(N)NH(2) (N=28 or 40). The sheets contain from one to four β-turns for N=28 and up to six for N=40. We have obtained four types of geometrically optimized structures. All contain only β-turns. They differ fro...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3529134/ https://ncbi.nlm.nih.gov/pubmed/23157432 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp3094947 |
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