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

Docking Result

CHEMBL5505931_dpp4

Atoms: 495
Models: 9
Best Energy: -9.193 kcal/mol

Binding Energies:
  • Pose 1: -9.193 kcal/mol
  • Pose 2: -9.079 kcal/mol
  • Pose 3: -9.011 kcal/mol
  • Pose 4: -8.788 kcal/mol
  • Pose 5: -8.684 kcal/mol
  • Pose 6: -8.53 kcal/mol
  • Pose 7: -8.515 kcal/mol
  • Pose 8: -8.445 kcal/mol
  • Pose 9: -8.43 kcal/mol
CHEMBL5505931_dpp4
Energy Plot
RMSD Scatter Plot