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

Docking Result

CHEMBL272771_dpp4

Atoms: 198
Models: 9
Best Energy: -7.765 kcal/mol

Binding Energies:
  • Pose 1: -7.765 kcal/mol
  • Pose 2: -6.842 kcal/mol
  • Pose 3: -6.794 kcal/mol
  • Pose 4: -6.785 kcal/mol
  • Pose 5: -6.689 kcal/mol
  • Pose 6: -6.55 kcal/mol
  • Pose 7: -6.543 kcal/mol
  • Pose 8: -6.343 kcal/mol
  • Pose 9: -6.244 kcal/mol
CHEMBL272771_dpp4
Energy Plot
RMSD Scatter Plot