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[Fe-Fe]-hydrogenase Reactivated by Residue Mutations as Bridging Carbonyl Rearranges: A QM/MM Study
In the current work, we found aqueous enzyme phase reaction pathways for the reactivation of the exogenously inhibited [Fe-Fe]-hydrogenases by O(2), or OH(-), which metabolizes to H(2)O(1,2). We used the hybrid quantum mechanics/molecular mechanics (QM/MM) method to study the reactivation pathways o...
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| Опубликовано в: : | Int J Quantum Chem |
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| Главные авторы: | , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2009
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4452136/ https://ncbi.nlm.nih.gov/pubmed/26045628 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/qua.22381 |
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