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

Docking Result

CHEMBL3736423_dpp4

Atoms: 306
Models: 9
Best Energy: -8.954 kcal/mol

Binding Energies:
  • Pose 1: -8.954 kcal/mol
  • Pose 2: -8.867 kcal/mol
  • Pose 3: -8.45 kcal/mol
  • Pose 4: -8.378 kcal/mol
  • Pose 5: -8.26 kcal/mol
  • Pose 6: -8.178 kcal/mol
  • Pose 7: -8.158 kcal/mol
  • Pose 8: -7.982 kcal/mol
  • Pose 9: -7.883 kcal/mol
CHEMBL3736423_dpp4
Energy Plot
RMSD Scatter Plot