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

Docking Result

CHEMBL5438620_dpp4

Atoms: 342
Models: 9
Best Energy: -9.657 kcal/mol

Binding Energies:
  • Pose 1: -9.657 kcal/mol
  • Pose 2: -9.215 kcal/mol
  • Pose 3: -9.187 kcal/mol
  • Pose 4: -9.065 kcal/mol
  • Pose 5: -8.946 kcal/mol
  • Pose 6: -8.862 kcal/mol
  • Pose 7: -8.783 kcal/mol
  • Pose 8: -8.722 kcal/mol
  • Pose 9: -8.715 kcal/mol
CHEMBL5438620_dpp4
Energy Plot
RMSD Scatter Plot