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

Docking Result

CHEMBL23223_dpp4

Atoms: 153
Models: 9
Best Energy: -5.916 kcal/mol

Binding Energies:
  • Pose 1: -5.916 kcal/mol
  • Pose 2: -5.829 kcal/mol
  • Pose 3: -5.745 kcal/mol
  • Pose 4: -5.692 kcal/mol
  • Pose 5: -5.535 kcal/mol
  • Pose 6: -5.494 kcal/mol
  • Pose 7: -5.487 kcal/mol
  • Pose 8: -5.46 kcal/mol
  • Pose 9: -5.338 kcal/mol
CHEMBL23223_dpp4
Energy Plot
RMSD Scatter Plot