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

Docking Result

CHEMBL469522_dpp4

Atoms: 315
Models: 9
Best Energy: -8.127 kcal/mol

Binding Energies:
  • Pose 1: -8.127 kcal/mol
  • Pose 2: -8.072 kcal/mol
  • Pose 3: -8.062 kcal/mol
  • Pose 4: -8.016 kcal/mol
  • Pose 5: -7.944 kcal/mol
  • Pose 6: -7.901 kcal/mol
  • Pose 7: -7.883 kcal/mol
  • Pose 8: -7.838 kcal/mol
  • Pose 9: -7.763 kcal/mol
CHEMBL469522_dpp4
Energy Plot
RMSD Scatter Plot