Two Sides of Quantum-Based Modeling of Enzyme-Catalyzed Reactions: Mechanistic and Electronic Structure Aspects of the Hydrolysis by Glutamate Carboxypeptidase

We report the results of a computational study of the hydrolysis reaction mechanism of N-acetyl-l-aspartyl-l-glutamate (NAAG) catalyzed by glutamate carboxypeptidase II. Analysis of both mechanistic and electronic structure aspects of this multistep reaction is in the focus of this work. In these si...

Descripción completa

Detalles Bibliográficos
Autores principales: Krivitskaya, Alexandra V., Khrenova, Maria G., Nemukhin, Alexander V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8538779/
https://www.ncbi.nlm.nih.gov/pubmed/34684866
http://dx.doi.org/10.3390/molecules26206280

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8538779/
https://www.ncbi.nlm.nih.gov/pubmed/34684866
http://dx.doi.org/10.3390/molecules26206280

Ejemplares similares