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

Docking Result

CHEMBL3233835_dpp4

Atoms: 225
Models: 9
Best Energy: -8.087 kcal/mol

Binding Energies:
  • Pose 1: -8.087 kcal/mol
  • Pose 2: -8.069 kcal/mol
  • Pose 3: -8.012 kcal/mol
  • Pose 4: -7.904 kcal/mol
  • Pose 5: -7.727 kcal/mol
  • Pose 6: -7.663 kcal/mol
  • Pose 7: -7.645 kcal/mol
  • Pose 8: -7.64 kcal/mol
  • Pose 9: -7.515 kcal/mol
CHEMBL3233835_dpp4
Energy Plot
RMSD Scatter Plot