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

Docking Result

CHEMBL2023066_dpp4

Atoms: 315
Models: 9
Best Energy: -8.971 kcal/mol

Binding Energies:
  • Pose 1: -8.971 kcal/mol
  • Pose 2: -8.409 kcal/mol
  • Pose 3: -8.032 kcal/mol
  • Pose 4: -8.028 kcal/mol
  • Pose 5: -7.978 kcal/mol
  • Pose 6: -7.853 kcal/mol
  • Pose 7: -7.813 kcal/mol
  • Pose 8: -7.811 kcal/mol
  • Pose 9: -7.774 kcal/mol
CHEMBL2023066_dpp4
Energy Plot
RMSD Scatter Plot