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

Docking Result

CHEMBL469890_dpp4

Atoms: 171
Models: 9
Best Energy: -7.48 kcal/mol

Binding Energies:
  • Pose 1: -7.48 kcal/mol
  • Pose 2: -6.633 kcal/mol
  • Pose 3: -6.207 kcal/mol
  • Pose 4: -6.192 kcal/mol
  • Pose 5: -6.11 kcal/mol
  • Pose 6: -6.106 kcal/mol
  • Pose 7: -5.788 kcal/mol
  • Pose 8: -5.693 kcal/mol
  • Pose 9: -5.586 kcal/mol
CHEMBL469890_dpp4
Energy Plot
RMSD Scatter Plot