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

Docking Result

CHEMBL227482_dpp4

Atoms: 252
Models: 9
Best Energy: -7.495 kcal/mol

Binding Energies:
  • Pose 1: -7.495 kcal/mol
  • Pose 2: -7.358 kcal/mol
  • Pose 3: -7.31 kcal/mol
  • Pose 4: -7.12 kcal/mol
  • Pose 5: -7.063 kcal/mol
  • Pose 6: -6.965 kcal/mol
  • Pose 7: -6.795 kcal/mol
  • Pose 8: -6.703 kcal/mol
  • Pose 9: -6.681 kcal/mol
CHEMBL227482_dpp4
Energy Plot
RMSD Scatter Plot