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

Docking Result

CHEMBL3945052_dpp4

Atoms: 306
Models: 9
Best Energy: -7.667 kcal/mol

Binding Energies:
  • Pose 1: -7.667 kcal/mol
  • Pose 2: -7.368 kcal/mol
  • Pose 3: -7.254 kcal/mol
  • Pose 4: -7.144 kcal/mol
  • Pose 5: -6.947 kcal/mol
  • Pose 6: -6.9 kcal/mol
  • Pose 7: -6.885 kcal/mol
  • Pose 8: -6.866 kcal/mol
  • Pose 9: -6.719 kcal/mol
CHEMBL3945052_dpp4
Energy Plot
RMSD Scatter Plot