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Can a continuum solvent model reproduce the free energy landscape of a β-hairpin folding in water?
The folding free energy landscape of the C-terminal β-hairpin of protein G is explored using the surface-generalized Born (SGB) implicit solvent model, and the results are compared with the landscape from an earlier study with explicit solvent model. The OPLSAA force field is used for the β-hairpin...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The National Academy of Sciences
2002
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC130536/ https://ncbi.nlm.nih.gov/pubmed/12242327 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.142430099 |
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