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Conformational Change of H64 and Substrate Transportation: Insight Into a Full Picture of Enzymatic Hydration of CO(2) by Carbonic Anhydrase
The enzymatic hydration of CO(2) into HCO(3) (−) by carbonic anhydrase (CA) is highly efficient and environment-friendly measure for CO(2) sequestration. Here extensive MM MD and QM/MM MD simulations were used to explore the whole enzymatic process, and a full picture of the enzymatic hydration of C...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8299336/ https://www.ncbi.nlm.nih.gov/pubmed/34307302 http://dx.doi.org/10.3389/fchem.2021.706959 |