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

Docking Result

CHEMBL562525_dpp4

Atoms: 279
Models: 9
Best Energy: -8.436 kcal/mol

Binding Energies:
  • Pose 1: -8.436 kcal/mol
  • Pose 2: -8.427 kcal/mol
  • Pose 3: -8.296 kcal/mol
  • Pose 4: -7.888 kcal/mol
  • Pose 5: -7.875 kcal/mol
  • Pose 6: -7.792 kcal/mol
  • Pose 7: -7.712 kcal/mol
  • Pose 8: -7.636 kcal/mol
  • Pose 9: -7.584 kcal/mol
CHEMBL562525_dpp4
Energy Plot
RMSD Scatter Plot