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

Docking Result

CHEMBL185222_dpp4

Atoms: 216
Models: 9
Best Energy: -6.47 kcal/mol

Binding Energies:
  • Pose 1: -6.47 kcal/mol
  • Pose 2: -6.452 kcal/mol
  • Pose 3: -6.183 kcal/mol
  • Pose 4: -6 kcal/mol
  • Pose 5: -5.916 kcal/mol
  • Pose 6: -5.831 kcal/mol
  • Pose 7: -5.718 kcal/mol
  • Pose 8: -5.662 kcal/mol
  • Pose 9: -5.661 kcal/mol
CHEMBL185222_dpp4
Energy Plot
RMSD Scatter Plot