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

Docking Result

CHEMBL223114_dpp4

Atoms: 189
Models: 9
Best Energy: -6.887 kcal/mol

Binding Energies:
  • Pose 1: -6.887 kcal/mol
  • Pose 2: -6.839 kcal/mol
  • Pose 3: -6.717 kcal/mol
  • Pose 4: -6.511 kcal/mol
  • Pose 5: -6.463 kcal/mol
  • Pose 6: -6.373 kcal/mol
  • Pose 7: -6.222 kcal/mol
  • Pose 8: -6.219 kcal/mol
  • Pose 9: -6.183 kcal/mol
CHEMBL223114_dpp4
Energy Plot
RMSD Scatter Plot