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

Docking Result

CHEMBL469521_dpp4

Atoms: 315
Models: 9
Best Energy: -8.732 kcal/mol

Binding Energies:
  • Pose 1: -8.732 kcal/mol
  • Pose 2: -8.541 kcal/mol
  • Pose 3: -8.438 kcal/mol
  • Pose 4: -8.422 kcal/mol
  • Pose 5: -8.405 kcal/mol
  • Pose 6: -8.38 kcal/mol
  • Pose 7: -8.379 kcal/mol
  • Pose 8: -8.305 kcal/mol
  • Pose 9: -8.188 kcal/mol
CHEMBL469521_dpp4
Energy Plot
RMSD Scatter Plot