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

Docking Result

CHEMBL3236100_dpp4

Atoms: 225
Models: 9
Best Energy: -7.616 kcal/mol

Binding Energies:
  • Pose 1: -7.616 kcal/mol
  • Pose 2: -7.518 kcal/mol
  • Pose 3: -7.484 kcal/mol
  • Pose 4: -7.059 kcal/mol
  • Pose 5: -7.045 kcal/mol
  • Pose 6: -6.977 kcal/mol
  • Pose 7: -6.869 kcal/mol
  • Pose 8: -6.866 kcal/mol
  • Pose 9: -6.685 kcal/mol
CHEMBL3236100_dpp4
Energy Plot
RMSD Scatter Plot