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

Docking Result

CHEMBL473188_dpp4

Atoms: 225
Models: 9
Best Energy: -7.266 kcal/mol

Binding Energies:
  • Pose 1: -7.266 kcal/mol
  • Pose 2: -7.177 kcal/mol
  • Pose 3: -7.105 kcal/mol
  • Pose 4: -6.987 kcal/mol
  • Pose 5: -6.972 kcal/mol
  • Pose 6: -6.97 kcal/mol
  • Pose 7: -6.903 kcal/mol
  • Pose 8: -6.853 kcal/mol
  • Pose 9: -6.808 kcal/mol
CHEMBL473188_dpp4
Energy Plot
RMSD Scatter Plot