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

Docking Result

CHEMBL3093903_dpp4

Atoms: 198
Models: 9
Best Energy: -7.057 kcal/mol

Binding Energies:
  • Pose 1: -7.057 kcal/mol
  • Pose 2: -7.044 kcal/mol
  • Pose 3: -6.993 kcal/mol
  • Pose 4: -6.985 kcal/mol
  • Pose 5: -6.966 kcal/mol
  • Pose 6: -6.908 kcal/mol
  • Pose 7: -6.819 kcal/mol
  • Pose 8: -6.813 kcal/mol
  • Pose 9: -6.75 kcal/mol
CHEMBL3093903_dpp4
Energy Plot
RMSD Scatter Plot