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

Docking Result

CHEMBL365414_dpp4

Atoms: 396
Models: 9
Best Energy: -9.275 kcal/mol

Binding Energies:
  • Pose 1: -9.275 kcal/mol
  • Pose 2: -9.257 kcal/mol
  • Pose 3: -9.22 kcal/mol
  • Pose 4: -9.214 kcal/mol
  • Pose 5: -9.159 kcal/mol
  • Pose 6: -9.106 kcal/mol
  • Pose 7: -8.848 kcal/mol
  • Pose 8: -8.833 kcal/mol
  • Pose 9: -8.823 kcal/mol
CHEMBL365414_dpp4
Energy Plot
RMSD Scatter Plot