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The rupture mechanism of rubredoxin is more complex than previously thought

The surprisingly low rupture force and remarkable mechanical anisotropy of rubredoxin have been known for several years. Exploiting the first combination of steered molecular dynamics and the quantum chemical Judgement of Energy DIstribution (JEDI) analysis, the common belief that hydrogen bonds bet...

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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Scheurer, Maximilian, Dreuw, Andreas, Head-Gordon, Martin, Stauch, Tim
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society of Chemistry 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8159389/
https://ncbi.nlm.nih.gov/pubmed/34094096
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc02164d
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