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

Docking Result

CHEMBL249825_dpp4

Atoms: 243
Models: 9
Best Energy: -8.571 kcal/mol

Binding Energies:
  • Pose 1: -8.571 kcal/mol
  • Pose 2: -7.87 kcal/mol
  • Pose 3: -7.789 kcal/mol
  • Pose 4: -7.787 kcal/mol
  • Pose 5: -7.713 kcal/mol
  • Pose 6: -7.686 kcal/mol
  • Pose 7: -7.611 kcal/mol
  • Pose 8: -7.444 kcal/mol
  • Pose 9: -7.405 kcal/mol
CHEMBL249825_dpp4
Energy Plot
RMSD Scatter Plot