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

Docking Result

CHEMBL6041231_dpp4

Atoms: 306
Models: 9
Best Energy: -9.651 kcal/mol

Binding Energies:
  • Pose 1: -9.651 kcal/mol
  • Pose 2: -9.162 kcal/mol
  • Pose 3: -8.831 kcal/mol
  • Pose 4: -8.698 kcal/mol
  • Pose 5: -8.681 kcal/mol
  • Pose 6: -8.652 kcal/mol
  • Pose 7: -8.608 kcal/mol
  • Pose 8: -8.536 kcal/mol
  • Pose 9: -8.282 kcal/mol
CHEMBL6041231_dpp4
Energy Plot
RMSD Scatter Plot