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

Docking Result

CHEMBL3233563_dpp4

Atoms: 180
Models: 9
Best Energy: -7.219 kcal/mol

Binding Energies:
  • Pose 1: -7.219 kcal/mol
  • Pose 2: -7.076 kcal/mol
  • Pose 3: -6.835 kcal/mol
  • Pose 4: -6.731 kcal/mol
  • Pose 5: -6.523 kcal/mol
  • Pose 6: -6.443 kcal/mol
  • Pose 7: -6.43 kcal/mol
  • Pose 8: -6.378 kcal/mol
  • Pose 9: -6.312 kcal/mol
CHEMBL3233563_dpp4
Energy Plot
RMSD Scatter Plot