Figure 8
Plot of the calculated values of the absolute binding free energy (ΔGbind) against those determined experimentally (ΔGexp) for the 12 compounds after additional calculations for amiodarone and sotalol. Data points colored red represent the results of the additional calculations for amiodarone and sotalol. The solid line represents a regression line with a coefficient of determination (R2) of 0.909. The regression equation is shown above the graph, in which x is ΔGexp and y is ΔGbind.
