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

Docking Result

CHEMBL2385290_dpp4

Atoms: 225
Models: 9
Best Energy: -7.237 kcal/mol

Binding Energies:
  • Pose 1: -7.237 kcal/mol
  • Pose 2: -7.115 kcal/mol
  • Pose 3: -7.008 kcal/mol
  • Pose 4: -6.931 kcal/mol
  • Pose 5: -6.912 kcal/mol
  • Pose 6: -6.843 kcal/mol
  • Pose 7: -6.729 kcal/mol
  • Pose 8: -6.68 kcal/mol
  • Pose 9: -6.658 kcal/mol
CHEMBL2385290_dpp4
Energy Plot
RMSD Scatter Plot