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Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis

The differential modulation of agonist and antagonist binding to opioid receptors (ORs) by sodium (Na(+)) has been known for decades. To shed light on the molecular determinants, thermodynamics, and kinetics of Na(+) translocation through the μ-OR (MOR), we used a multi-ensemble Markov model framewo...

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Detalles Bibliográficos
Autores principales:	Hu, Xiaohu, Wang, Yibo, Hunkele, Amanda, Provasi, Davide, Pasternak, Gavril W., Filizola, Marta
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2019
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6363219/ https://www.ncbi.nlm.nih.gov/pubmed/30677023 http://dx.doi.org/10.1371/journal.pcbi.1006689

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