Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase

The rate of modern drug discovery using experimental screening methods still lags behind the rate at which pathogens mutate, underscoring the need for fast and accurate predictive simulations of protein evolution. Multidrug-resistant bacteria evade our defenses by expressing a series of proteins, th...

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Detalles Bibliográficos
Autores principales: da Silva, Gabriel Monteiro, Yang, Jordan, Leang, Bunlong, Huang, Jessie, Weinreich, Daniel M., Rubenstein, Brenda M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9269908/
https://www.ncbi.nlm.nih.gov/pubmed/35759512
http://dx.doi.org/10.1371/journal.pcbi.1009944

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9269908/
https://www.ncbi.nlm.nih.gov/pubmed/35759512
http://dx.doi.org/10.1371/journal.pcbi.1009944

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