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

Docking Result

CHEMBL3425751_dpp4

Atoms: 333
Models: 9
Best Energy: -9.031 kcal/mol

Binding Energies:
  • Pose 1: -9.031 kcal/mol
  • Pose 2: -8.99 kcal/mol
  • Pose 3: -8.866 kcal/mol
  • Pose 4: -8.793 kcal/mol
  • Pose 5: -8.767 kcal/mol
  • Pose 6: -8.678 kcal/mol
  • Pose 7: -8.564 kcal/mol
  • Pose 8: -8.543 kcal/mol
  • Pose 9: -8.398 kcal/mol
CHEMBL3425751_dpp4
Energy Plot
RMSD Scatter Plot