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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Proc Natl Acad Sci U S A
Prif Awduron: Caflisch, A, Karplus, M
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: National Academy of Sciences 1994
Pynciau:
Mynediad Ar-lein: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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