DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3084947_dpp4

Atoms: 252
Models: 9
Best Energy: -7.069 kcal/mol

Binding Energies:
  • Pose 1: -7.069 kcal/mol
  • Pose 2: -7.004 kcal/mol
  • Pose 3: -6.865 kcal/mol
  • Pose 4: -6.822 kcal/mol
  • Pose 5: -6.753 kcal/mol
  • Pose 6: -6.677 kcal/mol
  • Pose 7: -6.577 kcal/mol
  • Pose 8: -6.534 kcal/mol
  • Pose 9: -6.499 kcal/mol
CHEMBL3084947_dpp4
Energy Plot
RMSD Scatter Plot