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

Docking Result

CHEMBL1683092_dpp4

Atoms: 288
Models: 9
Best Energy: -8.373 kcal/mol

Binding Energies:
  • Pose 1: -8.373 kcal/mol
  • Pose 2: -8.122 kcal/mol
  • Pose 3: -8.078 kcal/mol
  • Pose 4: -7.912 kcal/mol
  • Pose 5: -7.893 kcal/mol
  • Pose 6: -7.858 kcal/mol
  • Pose 7: -7.736 kcal/mol
  • Pose 8: -7.677 kcal/mol
  • Pose 9: -7.62 kcal/mol
CHEMBL1683092_dpp4
Energy Plot
RMSD Scatter Plot