Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ‑Opioid Receptor Complexes

Opioid G protein-coupled receptors (GPCRs) have been implicated in modulating pain, addiction, psychotomimesis, mood and memory, among other functions. We have employed the recently reported crystal structure of the human κ-opioid receptor (κ-OR) and performed molecular dynamics (MD), free energy, a...

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Veröffentlicht in:	Journal of chemical information and modeling 2014-08, Vol.54 (8), p.2294-2308
Hauptverfasser:	Leonis, Georgios, Avramopoulos, Aggelos, Salmas, Ramin Ekhteiari, Durdagi, Serdar, Yurtsever, Mine, Papadopoulos, Manthos G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Analgesics, Opioid - chemistry Binding Sites Diterpenes, Clerodane - chemistry Humans Ligands Molecular Dynamics Simulation Narcotic Antagonists - chemistry Piperidines - chemistry Protein Binding Protein Structure, Secondary Protein Structure, Tertiary Receptors, Opioid, kappa - chemistry Static Electricity Structure-Activity Relationship Tetrahydroisoquinolines - chemistry Thermodynamics
Online-Zugang:	Volltext
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