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Determinants of Orexin Receptor Binding and Activation—A Molecular Dynamics Study

[Image: see text] We assess the stability of two previously suggested binding modes for the neuropeptide orexin-A in the OX(2) receptor through extensive molecular dynamics simulations. As the activation determinants of the receptor remain unknown, we simulated an unliganded receptor and two small-m...

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Detalles Bibliográficos
Autores principales: Karhu, Lasse, Magarkar, Aniket, Bunker, Alex, Xhaard, Henri
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727383/
https://www.ncbi.nlm.nih.gov/pubmed/30786708
http://dx.doi.org/10.1021/acs.jpcb.8b10220