Contribution of the hydrophobic effect to protein stability: analysis based on simulations of the Ile-96----Ala mutation in barnase.
Molecular dynamics simulations have been used to compute the difference in the unfolding free energy between wild-type barnase and the mutant in which Ile-96 is replaced by alanine. The simulations yield results (-3.42 and -5.21 kcal/mol) that compare favorably with experimental values (-3.3 and -4....
Guardat en:
| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
1991
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC53035/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/1961758/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.88.23.10880 |
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