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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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Detalles Bibliográficos
Autores principales:	Cong, Xiaojing, Campomanes, Pablo, Kless, Achim, Schapitz, Inga, Wagener, Markus, Koch, Thomas, Carloni, Paolo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4539194/ https://www.ncbi.nlm.nih.gov/pubmed/26280453 http://dx.doi.org/10.1371/journal.pone.0135998

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