Molecular Mechanism for the Dual Alcohol Modulation of Cys-loop Receptors
Figure 7
Effects of spontaneous and constrained ethanol binding on pore constriction.
Minimal pore radius at the hydrophobic barrier at I(9′) as a function of time for F(14′)A simulations without ethanol (blue), with 600 mM ethanol (purple), and with one ethanol molecule constrained in each of the five inter-subunit cavities (cyan), computed by extracting the smallest pore radius around I(9)′ with a z-window of 5 Å. In the constrained system, one ethanol molecule was removed every 100 ns between 500 and 1000 ns.