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

Docking Result

CHEMBL381340_dpp4

Atoms: 180
Models: 9
Best Energy: -7.038 kcal/mol

Binding Energies:
  • Pose 1: -7.038 kcal/mol
  • Pose 2: -6.995 kcal/mol
  • Pose 3: -6.964 kcal/mol
  • Pose 4: -6.799 kcal/mol
  • Pose 5: -6.636 kcal/mol
  • Pose 6: -6.633 kcal/mol
  • Pose 7: -6.581 kcal/mol
  • Pose 8: -6.581 kcal/mol
  • Pose 9: -6.536 kcal/mol
CHEMBL381340_dpp4
Energy Plot
RMSD Scatter Plot