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

Docking Result

CHEMBL233563_dpp4

Atoms: 270
Models: 9
Best Energy: -9.424 kcal/mol

Binding Energies:
  • Pose 1: -9.424 kcal/mol
  • Pose 2: -8.738 kcal/mol
  • Pose 3: -8.632 kcal/mol
  • Pose 4: -7.875 kcal/mol
  • Pose 5: -7.848 kcal/mol
  • Pose 6: -7.829 kcal/mol
  • Pose 7: -7.818 kcal/mol
  • Pose 8: -7.796 kcal/mol
  • Pose 9: -7.589 kcal/mol
CHEMBL233563_dpp4
Energy Plot
RMSD Scatter Plot