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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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| Auteurs principaux: | , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Cold Spring Harbor Laboratory Press
2008
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| Sujets: | |
| Accès en ligne: | 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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