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Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics

Understanding allostery in enzymes and tools to identify it offer promising alternative strategies to inhibitor development. Through a combination of equilibrium and nonequilibrium molecular dynamics simulations, we identify allosteric effects and communication pathways in two prototypical class A β...

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Detalles Bibliográficos
Autores principales:	Galdadas, Ioannis, Qu, Shen, Oliveira, Ana Sofia F, Olehnovics, Edgar, Mack, Andrew R, Mojica, Maria F, Agarwal, Pratul K, Tooke, Catherine L, Gervasio, Francesco Luigi, Spencer, James, Bonomo, Robert A, Mulholland, Adrian J, Haider, Shozeb
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	eLife Sciences Publications, Ltd 2021
Materias:	Medicine
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8060031/ https://www.ncbi.nlm.nih.gov/pubmed/33755013 http://dx.doi.org/10.7554/eLife.66567

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