Transition-path sampling of β-hairpin folding
We examine the dynamical folding pathways of the C-terminal β-hairpin of protein G-B1 in explicit solvent at room temperature by means of a transition-path sampling algorithm. In agreement with previous free-energy calculations, the resulting path ensembles reveal a folding mechanism in which the hy...
Uloženo v:
| Vydáno v: | Proc Natl Acad Sci U S A |
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| Hlavní autor: | |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2003
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC218724/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14523242/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.1534924100 |
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