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

Docking Result

CHEMBL330326_dpp4

Atoms: 153
Models: 9
Best Energy: -5.558 kcal/mol

Binding Energies:
  • Pose 1: -5.558 kcal/mol
  • Pose 2: -5.469 kcal/mol
  • Pose 3: -5.426 kcal/mol
  • Pose 4: -5.254 kcal/mol
  • Pose 5: -5.236 kcal/mol
  • Pose 6: -5.216 kcal/mol
  • Pose 7: -5.204 kcal/mol
  • Pose 8: -5.062 kcal/mol
  • Pose 9: -4.981 kcal/mol
CHEMBL330326_dpp4
Energy Plot
RMSD Scatter Plot