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

Docking Result

CHEMBL549992_dpp4

Atoms: 252
Models: 9
Best Energy: -7.666 kcal/mol

Binding Energies:
  • Pose 1: -7.666 kcal/mol
  • Pose 2: -7.274 kcal/mol
  • Pose 3: -7.223 kcal/mol
  • Pose 4: -7.198 kcal/mol
  • Pose 5: -7.079 kcal/mol
  • Pose 6: -7.035 kcal/mol
  • Pose 7: -6.868 kcal/mol
  • Pose 8: -6.696 kcal/mol
  • Pose 9: -6.6 kcal/mol
CHEMBL549992_dpp4
Energy Plot
RMSD Scatter Plot