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Structural Investigation of the Dopamine2 Receptor Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR States
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unpublished
The active (D2 High R) and inactive (D2 Low R) states of dimeric dopamine D2 receptor (D2R) models were investigated to clarify the binding mechanisms of the dopamine agonist bromocriptine, using Molecular Dynamics (MD) simulation. The aim of this comprehensive study was to investigate the critical effects of bromocriptine binding on each distinct receptor conformation. The different binding modes of the bromocriptine ligand in the active and inactive states have a significant effect on the
doi:10.1021/acs.jcim.7b00722.s001
fatcat:4opqw4argvbetm7ocp4fct5h24