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

Docking Result

CHEMBL378152_dpp4

Atoms: 153
Models: 9
Best Energy: -6.292 kcal/mol

Binding Energies:
  • Pose 1: -6.292 kcal/mol
  • Pose 2: -6.178 kcal/mol
  • Pose 3: -6.14 kcal/mol
  • Pose 4: -6.096 kcal/mol
  • Pose 5: -6.028 kcal/mol
  • Pose 6: -5.817 kcal/mol
  • Pose 7: -5.759 kcal/mol
  • Pose 8: -5.75 kcal/mol
  • Pose 9: -5.703 kcal/mol
CHEMBL378152_dpp4
Energy Plot
RMSD Scatter Plot