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

Docking Result

CHEMBL232716_dpp4

Atoms: 243
Models: 9
Best Energy: -5.506 kcal/mol

Binding Energies:
  • Pose 1: -5.506 kcal/mol
  • Pose 2: -5.325 kcal/mol
  • Pose 3: -4.894 kcal/mol
  • Pose 4: -4.851 kcal/mol
  • Pose 5: -4.743 kcal/mol
  • Pose 6: -4.669 kcal/mol
  • Pose 7: -4.642 kcal/mol
  • Pose 8: -4.616 kcal/mol
  • Pose 9: -4.539 kcal/mol
CHEMBL232716_dpp4
Energy Plot
RMSD Scatter Plot