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Molecular Details of the Activation of the μ Opioid Receptor
2013
Journal of Physical Chemistry B
Molecular details of μ opioid receptor activations were obtained using molecular dynamics simulations of the receptor in the presence of 3 agonists, 3 antagonists, a partial agonist and on the constitutively active T279K mutant. Agonists have a higher probability of direct interactions of their basic nitrogen (N) with Asp147 as compared to antagonists, indicating that direct ligand-Asp147 interactions modulate activation. Medium size substituents on the basic N of antagonists lead to steric
doi:10.1021/jp404238n
pmid:23758404
pmcid:PMC3735350
fatcat:zu7vgjo435a65c76wrevepylsy