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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...
Autores principales: | Karhu, Lasse, Magarkar, Aniket, Bunker, Alex, Xhaard, Henri |
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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 |
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