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

Docking Result

CHEMBL3233843_dpp4

Atoms: 252
Models: 9
Best Energy: -8.328 kcal/mol

Binding Energies:
  • Pose 1: -8.328 kcal/mol
  • Pose 2: -8.219 kcal/mol
  • Pose 3: -8.149 kcal/mol
  • Pose 4: -8.034 kcal/mol
  • Pose 5: -7.948 kcal/mol
  • Pose 6: -7.563 kcal/mol
  • Pose 7: -7.49 kcal/mol
  • Pose 8: -7.425 kcal/mol
  • Pose 9: -7.412 kcal/mol
CHEMBL3233843_dpp4
Energy Plot
RMSD Scatter Plot