Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase.
The transition in barnase from the native state to a compact globule has been studied with high-temperature molecular dynamics simulations. A partial destruction of the alpha-helices and the outer strands of the beta-sheet is observed with water molecules replacing the hydrogen bonds of the secondar...
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
1994
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC43240/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/8127876/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.91.5.1746 |
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