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The Aggregation of Capped Hexaglycine Strands into Hydrogen-Bonding Motifs Representative of Pleated and Rippled β-Sheets, Collagen, and Polyglycine I and II Crystal Structures. A Density Functional Theory (DFT) Study
We compare the energies and enthalpies of interaction of three and seven stranded capped polyglycine aggregates in both the pleated and rippled antiparallel and parallel β-sheet structures as well as the collagenic (3-strand) or polyglycine II-like (7-strand) forms using DFT theory at the B3LYP/D95(...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3042133/ https://ncbi.nlm.nih.gov/pubmed/21261311 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp111501d |
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