During docking, three different fitness functions were used to evaluate the perfomance of the code, GoldScore (GS), ChemScore (CS), and the Piecewise Linear Potential (PLP). The RMSD tolerance for pose clustering was set to 2.0 Å and by default 100 GA runs were carried out, without early termination. An additional calculation with the PLP fitness function and 1000 GA runs was carried out to investigate the influence of increasing the sampling.