Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis
Fig 4
Estimated transition times of (a) Na+ binding (from extracellular to bound states, in ns), (b) Na+ dissociation (from bound to extracellular states, in μs), and (c) Na+ egress (from bound to intracellular states, in s) as a function of extracellular Na+ concentration.
The Na+ concentration in the cytoplasm is assumed to be constant. Transition times are calculated as the median of the mean first passage times calculated from individual bootstrap samples and the full sample. Confidence intervals were estimated as the differences from the 1st and 3rd quartiles.