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

Docking Result

CHEMBL3357769_dpp4

Atoms: 279
Models: 9
Best Energy: -8.344 kcal/mol

Binding Energies:
  • Pose 1: -8.344 kcal/mol
  • Pose 2: -8.34 kcal/mol
  • Pose 3: -8.2 kcal/mol
  • Pose 4: -8.044 kcal/mol
  • Pose 5: -8.011 kcal/mol
  • Pose 6: -7.909 kcal/mol
  • Pose 7: -7.874 kcal/mol
  • Pose 8: -7.775 kcal/mol
  • Pose 9: -7.723 kcal/mol
CHEMBL3357769_dpp4
Energy Plot
RMSD Scatter Plot