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Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor

Atomistic descriptions of the μ-opioid receptor (μOR) noncovalently binding with two of its prototypical morphinan agonists, morphine (MOP) and hydromorphone (HMP), are investigated using molecular dynamics (MD) simulations. Subtle differences between the binding modes and hydration properties of MO...

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Bibliografische gegevens
Gepubliceerd in:PLoS One
Hoofdauteurs: Cong, Xiaojing, Campomanes, Pablo, Kless, Achim, Schapitz, Inga, Wagener, Markus, Koch, Thomas, Carloni, Paolo
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Public Library of Science 2015
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4539194/
https://ncbi.nlm.nih.gov/pubmed/26280453
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0135998
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