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

Docking Result

CHEMBL397716_dpp4

Atoms: 387
Models: 9
Best Energy: -8.8 kcal/mol

Binding Energies:
  • Pose 1: -8.8 kcal/mol
  • Pose 2: -8.604 kcal/mol
  • Pose 3: -8.305 kcal/mol
  • Pose 4: -8.166 kcal/mol
  • Pose 5: -8.085 kcal/mol
  • Pose 6: -8.062 kcal/mol
  • Pose 7: -8.049 kcal/mol
  • Pose 8: -7.979 kcal/mol
  • Pose 9: -7.873 kcal/mol
CHEMBL397716_dpp4
Energy Plot
RMSD Scatter Plot