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

Docking Result

CHEMBL512705_dpp4

Atoms: 288
Models: 9
Best Energy: -7.154 kcal/mol

Binding Energies:
  • Pose 1: -7.154 kcal/mol
  • Pose 2: -7.073 kcal/mol
  • Pose 3: -6.995 kcal/mol
  • Pose 4: -6.898 kcal/mol
  • Pose 5: -6.81 kcal/mol
  • Pose 6: -6.761 kcal/mol
  • Pose 7: -6.741 kcal/mol
  • Pose 8: -6.545 kcal/mol
  • Pose 9: -6.505 kcal/mol
CHEMBL512705_dpp4
Energy Plot
RMSD Scatter Plot