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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2019
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Materias: | |
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 |