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

Docking Result

CHEMBL377672_dpp4

Atoms: 225
Models: 9
Best Energy: -6.706 kcal/mol

Binding Energies:
  • Pose 1: -6.706 kcal/mol
  • Pose 2: -6.672 kcal/mol
  • Pose 3: -6.662 kcal/mol
  • Pose 4: -6.515 kcal/mol
  • Pose 5: -6.498 kcal/mol
  • Pose 6: -6.445 kcal/mol
  • Pose 7: -6.417 kcal/mol
  • Pose 8: -6.416 kcal/mol
  • Pose 9: -6.276 kcal/mol
CHEMBL377672_dpp4
Energy Plot
RMSD Scatter Plot