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A reaction pathway to compound 0 intermediates in oxy-myoglobin through interactions with hydrogen sulfide and His64
Myoglobin (Mb) binds oxygen with high affinity as a low spin singlet complex and thus functions as an oxygen storage protein. Yet, hybrid Density Functional Theory/Molecular Mechanical (DFT/MM) calculations of oxy-Mb models predict that the O(2) bond is much less resistant to breaking in the presenc...
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| Publicado no: | J Mol Graph Model |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8256827/ https://ncbi.nlm.nih.gov/pubmed/31670138 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2019.107465 |
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