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Correlation between (13)C(α) chemical shifts and helix content of peptide ensembles
Replica exchange molecular dynamics simulations are used to generate three ensembles of an S-peptide analog (AETAAAKFLREHMDS). Percent helicity of the peptide ensembles calculated using STRIDE is compared to percent helicity calculated from (13)C(α) chemical shift deviations (CSD) from random coil i...
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| Главные авторы: | , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Cold Spring Harbor Laboratory Press
2008
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2327285/ https://ncbi.nlm.nih.gov/pubmed/18436960 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.073365408 |
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