Figure S3.

All free energy surfaces (transverse views along the plane of the bilayer) for nine neutral pore-binding inhibitors, in blue, produced from metadynamics simulations with positions of top five clusters, plus an additional four versions of protonated versions of four of these, in red (flecainide, mexiletine, bupivacaine, and etidocaine). Darkest color represents 0 kJ/mol or the most favorable drug binding sites; contours are plotted every 4 kJ/mol, where lighter colors indicate higher energy or less favorable regions of the pore.

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