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

Docking Result

CHEMBL234163_dpp4

Atoms: 189
Models: 9
Best Energy: -6.641 kcal/mol

Binding Energies:
  • Pose 1: -6.641 kcal/mol
  • Pose 2: -6.592 kcal/mol
  • Pose 3: -6.485 kcal/mol
  • Pose 4: -6.356 kcal/mol
  • Pose 5: -6.078 kcal/mol
  • Pose 6: -6.029 kcal/mol
  • Pose 7: -6.021 kcal/mol
  • Pose 8: -6.017 kcal/mol
  • Pose 9: -6.005 kcal/mol
CHEMBL234163_dpp4
Energy Plot
RMSD Scatter Plot