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

Docking Result

CHEMBL1083031_dpp4

Atoms: 216
Models: 9
Best Energy: -6.84 kcal/mol

Binding Energies:
  • Pose 1: -6.84 kcal/mol
  • Pose 2: -6.783 kcal/mol
  • Pose 3: -6.783 kcal/mol
  • Pose 4: -6.759 kcal/mol
  • Pose 5: -6.748 kcal/mol
  • Pose 6: -6.591 kcal/mol
  • Pose 7: -6.573 kcal/mol
  • Pose 8: -6.343 kcal/mol
  • Pose 9: -6.189 kcal/mol
CHEMBL1083031_dpp4
Energy Plot
RMSD Scatter Plot