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

Docking Result

CHEMBL520266_dpp4

Atoms: 279
Models: 9
Best Energy: -8.246 kcal/mol

Binding Energies:
  • Pose 1: -8.246 kcal/mol
  • Pose 2: -8.237 kcal/mol
  • Pose 3: -8.108 kcal/mol
  • Pose 4: -7.972 kcal/mol
  • Pose 5: -7.945 kcal/mol
  • Pose 6: -7.911 kcal/mol
  • Pose 7: -7.885 kcal/mol
  • Pose 8: -7.881 kcal/mol
  • Pose 9: -7.791 kcal/mol
CHEMBL520266_dpp4
Energy Plot
RMSD Scatter Plot