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

Docking Result

CHEMBL3114069_dpp4

Atoms: 234
Models: 9
Best Energy: -7.511 kcal/mol

Binding Energies:
  • Pose 1: -7.511 kcal/mol
  • Pose 2: -7.349 kcal/mol
  • Pose 3: -7.104 kcal/mol
  • Pose 4: -7.095 kcal/mol
  • Pose 5: -7.023 kcal/mol
  • Pose 6: -6.956 kcal/mol
  • Pose 7: -6.866 kcal/mol
  • Pose 8: -6.769 kcal/mol
  • Pose 9: -6.767 kcal/mol
CHEMBL3114069_dpp4
Energy Plot
RMSD Scatter Plot