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

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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Bibliographic Details
Main Authors: Xiaojing Cong, Pablo Campomanes, Achim Kless, Inga Schapitz, Markus Wagener, Thomas Koch, Paolo Carloni
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2015-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC4539194?pdf=render

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http://europepmc.org/articles/PMC4539194?pdf=render

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