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

Docking Result

CHEMBL90558_dpp4

Atoms: 234
Models: 9
Best Energy: -7.476 kcal/mol

Binding Energies:
  • Pose 1: -7.476 kcal/mol
  • Pose 2: -7.448 kcal/mol
  • Pose 3: -7.046 kcal/mol
  • Pose 4: -7.012 kcal/mol
  • Pose 5: -6.844 kcal/mol
  • Pose 6: -6.796 kcal/mol
  • Pose 7: -6.677 kcal/mol
  • Pose 8: -6.502 kcal/mol
  • Pose 9: -6.429 kcal/mol
CHEMBL90558_dpp4
Energy Plot
RMSD Scatter Plot