A computational study of barium blockades in the KcsA potassium channel based on multi-ion potential of mean force calculations and free energy perturbation
Population
KcsA potassium channel (computational model)
Design
Preclinical
Authors
Discussion
Loading...
Member takes
Implication
Provides no immediate clinical guidance; extends thermodynamic models of Ba2+ lock-in in KcsA.
Structured PICO
P
Population
KcsA potassium channel (computational model)
I
Intervention
Barium (Ba2+) blockade and interaction with K+ and Na+ ions
O
Outcome
Thermodynamic selectivity and potential of mean force (PMF) for ion translocation
Molecular dynamics simulations provide a thermodynamic explanation for the barium lock-in effect in KcsA potassium channels, showing that the presence of Ba2+ alters pore selectivity.
Cite This Study
Rowley et al. (2013) studied this question.