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

Docking Result

CHEMBL38165_dpp4

Atoms: 234
Models: 9
Best Energy: -8.825 kcal/mol

Binding Energies:
  • Pose 1: -8.825 kcal/mol
  • Pose 2: -8.3 kcal/mol
  • Pose 3: -7.899 kcal/mol
  • Pose 4: -7.655 kcal/mol
  • Pose 5: -7.524 kcal/mol
  • Pose 6: -7.428 kcal/mol
  • Pose 7: -7.299 kcal/mol
  • Pose 8: -7.254 kcal/mol
  • Pose 9: -7.082 kcal/mol
CHEMBL38165_dpp4
Energy Plot
RMSD Scatter Plot