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

Docking Result

CHEMBL5425364_dpp4

Atoms: 369
Models: 9
Best Energy: -10.318 kcal/mol

Binding Energies:
  • Pose 1: -10.318 kcal/mol
  • Pose 2: -9.903 kcal/mol
  • Pose 3: -9.731 kcal/mol
  • Pose 4: -9.266 kcal/mol
  • Pose 5: -9.195 kcal/mol
  • Pose 6: -9.184 kcal/mol
  • Pose 7: -9.178 kcal/mol
  • Pose 8: -9.105 kcal/mol
  • Pose 9: -9.091 kcal/mol
CHEMBL5425364_dpp4
Energy Plot
RMSD Scatter Plot