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One-Dimensional Barrier-Preserving Free-Energy Projections of β-sheet Miniprotein: New Insights into the Folding Process
The conformational space of a 20-residue three-stranded antiparallel β-sheet peptide (double hairpin) was sampled by equilibrium folding/unfolding molecular dynamics simulations for a total of 20 µs. The resulting one-dimensional free-energy profiles (FEPs) provide a detailed description of the free...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2008
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2736680/ https://ncbi.nlm.nih.gov/pubmed/18590307 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp711864r |
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