The AutoDockVina (ADV) program included into the PyRx-0.98/1.0 Python package, was modified to large scale docking . The ADV data was required for consensus or confirmation of the DW-BEL affinities, quantification in ~ nM affinities and generation of detailed 3D docked complexes for PyMol visual inspection . Briefly, non-toxic fitted-children saved as special 3D *sdf files were minimized and converted to *.pdbqt files 40 using the mmff94s (Merck) forcefield option. A grid of 45x45x45 Å automatically centered around the corresponding PyMol / centerofmass was designed for ADV docking for each of the KcsA protein targets (each grid-box used can be visualized at the corresponding Supplementary Material). ADV docking of thousands of non-toxic fitted-children lasted during several days depending on the cavity and the size of their children molecules. The ADV docking-score output results were delivered by the program in -Kcal/mol and converted to ~ nM affinities by the formula, 10 9 *(exp (Kcal/mol/0.592) ). .