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Table 2 Number of good, fair and poor ASMT docked complexes obtained by the different docking routines

From: Molecular docking studies for the identification of novel melatoninergic inhibitors for acetylserotonin-O-methyltransferase using different docking routines

Pose AutoDock/Vina GOLD FlexX FRED
Gooda 43 35 18 25
Fairb 18 22 28 13
Poorc 12 16 22 15
  1. agood on the bases of lowest binding affinities, RMSD < 2 Å and high docked scores.
  2. bfair pose on the bases of lowest to moderate binding affinities, RMSD < 3 Å and >2 Å and moderate docking scores.
  3. cpoor on the bases of high binding affinities, greater RMSD and lowest docked scores.