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

Docking Result

CHEMBL3580791_dpp4

Atoms: 315
Models: 9
Best Energy: -6.226 kcal/mol

Binding Energies:
  • Pose 1: -6.226 kcal/mol
  • Pose 2: -6.178 kcal/mol
  • Pose 3: -6.153 kcal/mol
  • Pose 4: -5.946 kcal/mol
  • Pose 5: -5.898 kcal/mol
  • Pose 6: -5.897 kcal/mol
  • Pose 7: -5.861 kcal/mol
  • Pose 8: -5.783 kcal/mol
  • Pose 9: -5.563 kcal/mol
CHEMBL3580791_dpp4
Energy Plot
RMSD Scatter Plot