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Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding

The mechanism of denaturation of proteins by urea is explored by using all-atom microseconds molecular dynamics simulations of hen lysozyme generated on BlueGene/L. Accumulation of urea around lysozyme shows that water molecules are expelled from the first hydration shell of the protein. We observe...

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Detalhes bibliográficos
Main Authors: Hua, Lan, Zhou, Ruhong, Thirumalai, D., Berne, B. J.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2579355/
https://ncbi.nlm.nih.gov/pubmed/18957546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0808427105
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