Theoretical Study on the Mechanism of the Acylate Reaction of β-Lactamase

[Image: see text] Using density functional theory and a cluster approach, we study the reaction potential surface and compute Gibbs free energies for the acylate reaction of β-lactamase with penicillin G, where the solvent effect is important and taken into consideration. Two reaction paths are inve...

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Detalles Bibliográficos
Autores principales: Wei, Wen-Mei, Xu, Yan-Li, Zheng, Ren-Hui, Zhao, Tingting, Fang, Weijun, Qin, Yi-De
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154126/
https://www.ncbi.nlm.nih.gov/pubmed/34056410
http://dx.doi.org/10.1021/acsomega.1c00592

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154126/
https://www.ncbi.nlm.nih.gov/pubmed/34056410
http://dx.doi.org/10.1021/acsomega.1c00592

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