Intermolecular Interactions in G Protein-Coupled Receptor Allosteric Sites at the Membrane Interface from Molecular Dynamics Simulations and Quantum Chemical Calculations

[Image: see text] Allosteric modulators are called promising candidates in G protein-coupled receptor (GPCR) drug development by displaying subtype selectivity and more specific receptor modulation. Among the allosteric sites known to date, cavities at the receptor–lipid interface represent an uncha...

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Detalles Bibliográficos
Autores principales: Ding, Tianyi, Karlov, Dmitry S., Pino-Angeles, Almudena, Tikhonova, Irina G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554917/
https://www.ncbi.nlm.nih.gov/pubmed/36178787
http://dx.doi.org/10.1021/acs.jcim.2c00788

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