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

Docking Result

CHEMBL3654423_dpp4

Atoms: 306
Models: 9
Best Energy: -5.775 kcal/mol

Binding Energies:
  • Pose 1: -5.775 kcal/mol
  • Pose 2: -5.655 kcal/mol
  • Pose 3: -5.557 kcal/mol
  • Pose 4: -5.49 kcal/mol
  • Pose 5: -5.475 kcal/mol
  • Pose 6: -5.443 kcal/mol
  • Pose 7: -5.43 kcal/mol
  • Pose 8: -5.377 kcal/mol
  • Pose 9: -5.31 kcal/mol
CHEMBL3654423_dpp4
Energy Plot
RMSD Scatter Plot