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A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2
Klebsiella pneumoniae carbapenemase (KPC-2) is the most commonly encountered class A β-lactamase variant worldwide, which confer high-level resistance to most available antibiotics. In this article we address the issue by a combined approach involving molecular dynamics simulations and hybrid quantu...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8264174/ https://www.ncbi.nlm.nih.gov/pubmed/34236545 http://dx.doi.org/10.1007/s10822-021-00408-3 |