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

Docking Result

CHEMBL230389_dpp4

Atoms: 306
Models: 9
Best Energy: -6.766 kcal/mol

Binding Energies:
  • Pose 1: -6.766 kcal/mol
  • Pose 2: -6.37 kcal/mol
  • Pose 3: -6.24 kcal/mol
  • Pose 4: -6.195 kcal/mol
  • Pose 5: -6.132 kcal/mol
  • Pose 6: -6.022 kcal/mol
  • Pose 7: -5.926 kcal/mol
  • Pose 8: -5.849 kcal/mol
  • Pose 9: -5.812 kcal/mol
CHEMBL230389_dpp4
Energy Plot
RMSD Scatter Plot