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

Docking Result

CHEMBL210522_dpp4

Atoms: 252
Models: 9
Best Energy: -8.431 kcal/mol

Binding Energies:
  • Pose 1: -8.431 kcal/mol
  • Pose 2: -8.356 kcal/mol
  • Pose 3: -8.326 kcal/mol
  • Pose 4: -8.292 kcal/mol
  • Pose 5: -8.106 kcal/mol
  • Pose 6: -8.072 kcal/mol
  • Pose 7: -8.067 kcal/mol
  • Pose 8: -8.063 kcal/mol
  • Pose 9: -8.016 kcal/mol
CHEMBL210522_dpp4
Energy Plot
RMSD Scatter Plot