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Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
Characterizing the equilibrium ensemble of folding pathways, including their relative probability, is one of the major challenges in protein folding theory today. Although this information is in principle accessible via all-atom molecular dynamics simulations, it is difficult to compute in practice...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2009
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2772816/ https://ncbi.nlm.nih.gov/pubmed/19887634 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0905466106 |
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