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Molecular Mechanism and Dynamics of S-Deoxyephedrine Moving through Molecular Channels within D(3)R

[Image: see text] In this article, the trajectories of S-deoxyephedrine (SBD) along molecular channels within the complex protein structure of third dopamine receptor (D(3)R) are analyzed via molecular dynamic techniques, including potential mean force calculations of umbrella samplings from the 4.5...

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Detalles Bibliográficos
Autores principales: Li, Ai Jing, Xie, Wei, Wang, Ming, Xu, Si Chuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645573/
https://www.ncbi.nlm.nih.gov/pubmed/31457418
http://dx.doi.org/10.1021/acsomega.7b01161