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Deciphering conformational selectivity in the A(2A) adenosine G protein-coupled receptor by free energy simulations

Transmembranal G Protein-Coupled Receptors (GPCRs) transduce extracellular chemical signals to the cell, via conformational change from a resting (inactive) to an active (canonically bound to a G-protein) conformation. Receptor activation is normally modulated by extracellular ligand binding, but mu...

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Detalles Bibliográficos
Autores principales: Jespers, Willem, Heitman, Laura H., IJzerman, Adriaan P., Sotelo, Eddy, van Westen, Gerard J. P., Åqvist, Johan, Gutiérrez-de-Terán, Hugo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8654218/
https://www.ncbi.nlm.nih.gov/pubmed/34818333
http://dx.doi.org/10.1371/journal.pcbi.1009152