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

Docking Result

CHEMBL500008_dpp4

Atoms: 216
Models: 9
Best Energy: -6.527 kcal/mol

Binding Energies:
  • Pose 1: -6.527 kcal/mol
  • Pose 2: -6.47 kcal/mol
  • Pose 3: -6.437 kcal/mol
  • Pose 4: -6.28 kcal/mol
  • Pose 5: -6.156 kcal/mol
  • Pose 6: -6.034 kcal/mol
  • Pose 7: -5.931 kcal/mol
  • Pose 8: -5.926 kcal/mol
  • Pose 9: -5.924 kcal/mol
CHEMBL500008_dpp4
Energy Plot
RMSD Scatter Plot