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

Docking Result

CHEMBL216835_dpp4

Atoms: 261
Models: 9
Best Energy: -8.084 kcal/mol

Binding Energies:
  • Pose 1: -8.084 kcal/mol
  • Pose 2: -8.062 kcal/mol
  • Pose 3: -7.339 kcal/mol
  • Pose 4: -7.306 kcal/mol
  • Pose 5: -7.188 kcal/mol
  • Pose 6: -7.078 kcal/mol
  • Pose 7: -6.877 kcal/mol
  • Pose 8: -6.795 kcal/mol
  • Pose 9: -6.76 kcal/mol
CHEMBL216835_dpp4
Energy Plot
RMSD Scatter Plot