Energy Transport in Class B GPCRs: Role of Protein–Water Dynamics and Activation

We compute energy exchange networks (EENs) through glucagon-like peptide-1 receptor (GLP-1R), a class B G-protein-coupled receptor (GPCR), in inactive and two active states, one activated by a peptide ligand and the other by a small molecule agonist, from results of molecular dynamics simulations. T...

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Veröffentlicht in:	The journal of physical chemistry. B 2022-10, Vol.126 (42), p.8362-8373
Hauptverfasser:	Poudel, Humanath, Leitner, David M.
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Biophysical and Biochemical Systems and Processes Glucagon-Like Peptide-1 Receptor - chemistry Ligands Peptides Receptors, G-Protein-Coupled - chemistry Rhodopsin - chemistry Water
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