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

Docking Result

CHEMBL3650436_dpp4

Atoms: 252
Models: 9
Best Energy: -8.035 kcal/mol

Binding Energies:
  • Pose 1: -8.035 kcal/mol
  • Pose 2: -7.968 kcal/mol
  • Pose 3: -7.913 kcal/mol
  • Pose 4: -7.875 kcal/mol
  • Pose 5: -7.846 kcal/mol
  • Pose 6: -7.731 kcal/mol
  • Pose 7: -7.69 kcal/mol
  • Pose 8: -7.462 kcal/mol
  • Pose 9: -7.341 kcal/mol
CHEMBL3650436_dpp4
Energy Plot
RMSD Scatter Plot