The free energy landscape for β hairpin folding in explicit water
The folding free energy landscape of the C-terminal β hairpin of protein G has been explored in this study with explicit solvent under periodic boundary condition and oplsaa force field. A highly parallel replica exchange method that combines molecular dynamics trajectories with a temperature exchan...
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| Pubblicato in: | Proc Natl Acad Sci U S A |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
National Academy of Sciences
2001
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC64961/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11752441/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.201543998 |
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