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Smoothing of the GB1 Hairpin Folding Landscape by Interfacial Confinement
We study the effects of confinement between planar walls on the folding thermodynamics of a β-hairpin, using large-scale replica-exchange molecular-dynamics simulations with an all-atom model and explicit solvent. We find that the folding free-energy landscape of this peptide observed in bulk is sig...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
The Biophysical Society
2012
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3414903/ https://ncbi.nlm.nih.gov/pubmed/22947876 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.07.005 |
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