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

Docking Result

CHEMBL471747_dpp4

Atoms: 288
Models: 9
Best Energy: -6.983 kcal/mol

Binding Energies:
  • Pose 1: -6.983 kcal/mol
  • Pose 2: -6.813 kcal/mol
  • Pose 3: -6.684 kcal/mol
  • Pose 4: -6.681 kcal/mol
  • Pose 5: -6.653 kcal/mol
  • Pose 6: -6.652 kcal/mol
  • Pose 7: -6.61 kcal/mol
  • Pose 8: -6.565 kcal/mol
  • Pose 9: -6.525 kcal/mol
CHEMBL471747_dpp4
Energy Plot
RMSD Scatter Plot