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

Docking Result

CHEMBL226771_dpp4

Atoms: 243
Models: 9
Best Energy: -7.43 kcal/mol

Binding Energies:
  • Pose 1: -7.43 kcal/mol
  • Pose 2: -7.367 kcal/mol
  • Pose 3: -6.946 kcal/mol
  • Pose 4: -6.801 kcal/mol
  • Pose 5: -6.786 kcal/mol
  • Pose 6: -6.743 kcal/mol
  • Pose 7: -6.711 kcal/mol
  • Pose 8: -6.564 kcal/mol
  • Pose 9: -6.559 kcal/mol
CHEMBL226771_dpp4
Energy Plot
RMSD Scatter Plot