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

Docking Result

CHEMBL3233554_dpp4

Atoms: 180
Models: 9
Best Energy: -7.137 kcal/mol

Binding Energies:
  • Pose 1: -7.137 kcal/mol
  • Pose 2: -7.04 kcal/mol
  • Pose 3: -6.799 kcal/mol
  • Pose 4: -6.773 kcal/mol
  • Pose 5: -6.715 kcal/mol
  • Pose 6: -6.646 kcal/mol
  • Pose 7: -6.628 kcal/mol
  • Pose 8: -6.519 kcal/mol
  • Pose 9: -6.452 kcal/mol
CHEMBL3233554_dpp4
Energy Plot
RMSD Scatter Plot