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

Docking Result

CHEMBL391837_dpp4

Atoms: 288
Models: 9
Best Energy: -8.936 kcal/mol

Binding Energies:
  • Pose 1: -8.936 kcal/mol
  • Pose 2: -8.625 kcal/mol
  • Pose 3: -8.558 kcal/mol
  • Pose 4: -8.535 kcal/mol
  • Pose 5: -8.407 kcal/mol
  • Pose 6: -8.362 kcal/mol
  • Pose 7: -8.345 kcal/mol
  • Pose 8: -8.235 kcal/mol
  • Pose 9: -8.225 kcal/mol
CHEMBL391837_dpp4
Energy Plot
RMSD Scatter Plot