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

Docking Result

CHEMBL391251_dpp4

Atoms: 279
Models: 9
Best Energy: -8.492 kcal/mol

Binding Energies:
  • Pose 1: -8.492 kcal/mol
  • Pose 2: -8.482 kcal/mol
  • Pose 3: -8.43 kcal/mol
  • Pose 4: -8.387 kcal/mol
  • Pose 5: -8.384 kcal/mol
  • Pose 6: -8.318 kcal/mol
  • Pose 7: -8.277 kcal/mol
  • Pose 8: -8.25 kcal/mol
  • Pose 9: -8.248 kcal/mol
CHEMBL391251_dpp4
Energy Plot
RMSD Scatter Plot