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Determination of the folding transition states of barnase by using Φ(I)-value-restrained simulations validated by double mutant Φ(IJ)-values
The protein barnase folds from the denatured state into its native conformation via a high-energy intermediate. Using Φ(I)-values determined experimentally from single-point mutations as restraints in all-atom molecular dynamics simulations, we have determined ensembles of structures corresponding t...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2005
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1194897/ https://ncbi.nlm.nih.gov/pubmed/16116084 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408226102 |
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