The AutoDockVina (ADV) algorithms (available at the PyRx-0.98/1.0 package) were employed to i) compare affinities between ADV and DWBEL-conformers, ii) quantify ADV-conformer affinities in ~ nM, iii) identify PyMol nearby amino acids in docked complexes between gpGVHSV and ADV-conformers and iv) confirm the gpGVHSV cavities targeted by ADV-conformers. The ADV algorithm was selected among the numerous alternative docking programs because of higher accuracies and ongoing improvements . The PyRx/Obabel/ADV algorithms were adapted to large scale docking requirements . Previous to ADV docking, non-toxic fitted-children DWBEL-conformers were minimized using the mmff94s+ force-field to conserve their 2D-structures. Additional minimizations were performed by PyRx/OpenBabel mmff94s before the conversion to *.pdbqt files required for ADV docking. The input children DWBEL-conformers (ID by their generation number) were renumerated (NN by their affinities) before ADV docking.