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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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Dettagli Bibliografici
Pubblicato in:PLoS One
Autori principali: Cong, Xiaojing, Campomanes, Pablo, Kless, Achim, Schapitz, Inga, Wagener, Markus, Koch, Thomas, Carloni, Paolo
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2015
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Accesso online: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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