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

Docking Result

CHEMBL5287917_dpp4

Atoms: 378
Models: 9
Best Energy: -8.679 kcal/mol

Binding Energies:
  • Pose 1: -8.679 kcal/mol
  • Pose 2: -8.37 kcal/mol
  • Pose 3: -8.316 kcal/mol
  • Pose 4: -8.17 kcal/mol
  • Pose 5: -8.033 kcal/mol
  • Pose 6: -7.981 kcal/mol
  • Pose 7: -7.941 kcal/mol
  • Pose 8: -7.911 kcal/mol
  • Pose 9: -7.869 kcal/mol
CHEMBL5287917_dpp4
Energy Plot
RMSD Scatter Plot