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

Docking Result

CHEMBL3233552_dpp4

Atoms: 252
Models: 9
Best Energy: -8.31 kcal/mol

Binding Energies:
  • Pose 1: -8.31 kcal/mol
  • Pose 2: -8.041 kcal/mol
  • Pose 3: -7.959 kcal/mol
  • Pose 4: -7.953 kcal/mol
  • Pose 5: -7.878 kcal/mol
  • Pose 6: -7.809 kcal/mol
  • Pose 7: -7.772 kcal/mol
  • Pose 8: -7.669 kcal/mol
  • Pose 9: -7.635 kcal/mol
CHEMBL3233552_dpp4
Energy Plot
RMSD Scatter Plot