Fig. 10

Comparative analysis of GENEOnet, TankBind, and AF2BIND on the protein PDB ID 6HD6. Specifically panels (a) and (b) display the following elements: experimental ligands STI (located in the middle) and FYH (situated at the lower left), which are depicted in green; TankBind-placed ligands, shown in magenta; residues with a predicted probability of binding P(bind) greater than 0.5, as determined by AF2BIND, represented in blue; and GENEOnet’s first two predicted pockets (orange clouds), which scored 0.863 (middle) and 0.690 (lower left), respectively.