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

Docking Result

CHEMBL553006_dpp4

Atoms: 225
Models: 9
Best Energy: -6.7 kcal/mol

Binding Energies:
  • Pose 1: -6.7 kcal/mol
  • Pose 2: -6.521 kcal/mol
  • Pose 3: -6.462 kcal/mol
  • Pose 4: -6.453 kcal/mol
  • Pose 5: -6.445 kcal/mol
  • Pose 6: -6.41 kcal/mol
  • Pose 7: -6.275 kcal/mol
  • Pose 8: -6.25 kcal/mol
  • Pose 9: -6.176 kcal/mol
CHEMBL553006_dpp4
Energy Plot
RMSD Scatter Plot