Bitopic Ligands Support the Presence of a Metastable Binding Site at the β2 Adrenergic Receptor

Metastable binding sites (MBS) have been observed in a multitude of molecular dynamics simulations and can be considered low affinity allosteric binding sites (ABS) that function as stepping stones as the ligand moves toward the orthosteric binding site (OBS). Herein, we show that MBS can be utilize...

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Veröffentlicht in:	Journal of medicinal chemistry 2024-07, Vol.67 (13), p.11053-11068
Hauptverfasser:	Gaiser, Birgit Isabel, Danielsen, Mia, Xu, Xinyu, Røpke Jørgensen, Kira, Fronik, Philipp, Märcher-Rørsted, Emil, Wróbel, Tomasz M., Liu, Xiangyu, Mosolff Mathiesen, Jesper, Sejer Pedersen, Daniel
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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