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

Docking Result

CHEMBL3927979_dpp4

Atoms: 369
Models: 9
Best Energy: -6.267 kcal/mol

Binding Energies:
  • Pose 1: -6.267 kcal/mol
  • Pose 2: -5.931 kcal/mol
  • Pose 3: -5.858 kcal/mol
  • Pose 4: -5.706 kcal/mol
  • Pose 5: -5.703 kcal/mol
  • Pose 6: -5.692 kcal/mol
  • Pose 7: -5.509 kcal/mol
  • Pose 8: -5.49 kcal/mol
  • Pose 9: -5.333 kcal/mol
CHEMBL3927979_dpp4
Energy Plot
RMSD Scatter Plot