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

Docking Result

CHEMBL98869_dpp4

Atoms: 216
Models: 9
Best Energy: -6.977 kcal/mol

Binding Energies:
  • Pose 1: -6.977 kcal/mol
  • Pose 2: -6.762 kcal/mol
  • Pose 3: -6.746 kcal/mol
  • Pose 4: -6.727 kcal/mol
  • Pose 5: -6.701 kcal/mol
  • Pose 6: -6.617 kcal/mol
  • Pose 7: -6.57 kcal/mol
  • Pose 8: -6.514 kcal/mol
  • Pose 9: -6.435 kcal/mol
CHEMBL98869_dpp4
Energy Plot
RMSD Scatter Plot