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Microscopic events in β-hairpin folding from alternative unfolded ensembles
We have performed the first unbiased folding simulations of the GB1 hairpin in explicit solvent, using hundreds of microsecond-long molecular dynamics simulations (total time: 0.7 ms). Our simulations are initiated from two sets of structures. Starting from an equilibrium unfolded state, we obtain s...
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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
National Academy of Sciences
2011
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3131341/ https://ncbi.nlm.nih.gov/pubmed/21690352 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1016685108 |
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