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

Docking Result

CHEMBL461496_dpp4

Atoms: 126
Models: 9
Best Energy: -5.218 kcal/mol

Binding Energies:
  • Pose 1: -5.218 kcal/mol
  • Pose 2: -5.028 kcal/mol
  • Pose 3: -4.926 kcal/mol
  • Pose 4: -4.822 kcal/mol
  • Pose 5: -4.785 kcal/mol
  • Pose 6: -4.765 kcal/mol
  • Pose 7: -4.718 kcal/mol
  • Pose 8: -4.689 kcal/mol
  • Pose 9: -4.543 kcal/mol
CHEMBL461496_dpp4
Energy Plot
RMSD Scatter Plot