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Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa:d-Lac Ligase VanA

[Image: see text] The d-Ala:d-Lac ligase, VanA, plays a critical role in the resistance of vancomycin. Indeed, it is involved in the synthesis of a peptidoglycan precursor, to which vancomycin cannot bind. The reaction catalyzed by VanA requires the opening of the so-called “ω-loop”, so that the sub...

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Detalles Bibliográficos
Autores principales: Duclert-Savatier, Nathalie, Bouvier, Guillaume, Nilges, Michael, Malliavin, Thérèse E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5039762/
https://www.ncbi.nlm.nih.gov/pubmed/27579990
http://dx.doi.org/10.1021/acs.jcim.6b00211