Skip to main content

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.