https://wee1-receptor.com/inde....x.php/drug-induced-t
After docking of antagonists into the M2 receptor in an inactive conformation (3UON, 5ZK3, 5ZKB, or 5ZK and agonists in a dynamic conformation (4MQS), 100 ns of old-fashioned molecular dynamics (MD) followed by 500 ns of accelerated MD was operate. Main-stream MD revealed ligand-specific interactions aided by the receptor. Antagonists stabilized the receptor in an inactive conformation during accelerated MD. The receptor in complex with various
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