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Structure and Dynamics of Dioxygen Bound to Cobalt and Iron Heme

In this study we use ab initio molecular dynamics simulations to analyze the structure and dynamics of the oxygen ligand in models of the oxymyoglobin active site and its cobalt-substituted analog. Our calculations are performed for iron-porphyrin and cobalt-porphyrin complexes with imidazole and ox...

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Detalhes bibliográficos
Main Authors: Degtyarenko, Ivan, Nieminen, Risto M., Rovira, Carme
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1557552/
https://ncbi.nlm.nih.gov/pubmed/16751243
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.083048
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