One class classification for the detection of β2 adrenergic receptor agonists using single-ligand dynamic interaction data

Luca Chiesa & Esther Kellenberger
Abstract G protein-coupled receptors are involved in many biological processes, relaying the extracellular signal inside the cell. Signaling is regulated by the interactions between receptors and their ligands, it can be stimulated by agonists, or inhibited by antagonists or inverse agonists. The development of a new drug targeting a member of this family requires to take into account the pharmacological profile of the designed ligands in order to elicit the desired response. The structure-based virtual...
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