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Conformational Itinerary of Sucrose During Hydrolysis by Retaining Amylosucrase
By means of QM(DFT)/MM metadynamics we have unraveled the hydrolytic reaction mechanism of Neisseria polysaccharea amylosucrase (NpAS), a member of GH13 family. Our results provide an atomistic picture of the active site reorganization along the catalytic double-displacement reaction, clarifying whe...
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| Publicado no: | Front Chem |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6502901/ https://ncbi.nlm.nih.gov/pubmed/31114783 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00269 |
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