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...
Gardado en:
| Publicado en: | Proc Natl Acad Sci U S A |
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| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
National Academy of Sciences
2002
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC130536/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/12242327/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.142430099 |
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