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

Docking Result

CHEMBL227356_dpp4

Atoms: 324
Models: 9
Best Energy: -8.803 kcal/mol

Binding Energies:
  • Pose 1: -8.803 kcal/mol
  • Pose 2: -8.682 kcal/mol
  • Pose 3: -8.321 kcal/mol
  • Pose 4: -8.219 kcal/mol
  • Pose 5: -8.183 kcal/mol
  • Pose 6: -7.991 kcal/mol
  • Pose 7: -7.961 kcal/mol
  • Pose 8: -7.836 kcal/mol
  • Pose 9: -7.743 kcal/mol
CHEMBL227356_dpp4
Energy Plot
RMSD Scatter Plot