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

Docking Result

CHEMBL525011_dpp4

Atoms: 279
Models: 9
Best Energy: -8.185 kcal/mol

Binding Energies:
  • Pose 1: -8.185 kcal/mol
  • Pose 2: -7.985 kcal/mol
  • Pose 3: -7.956 kcal/mol
  • Pose 4: -7.815 kcal/mol
  • Pose 5: -7.783 kcal/mol
  • Pose 6: -7.679 kcal/mol
  • Pose 7: -7.601 kcal/mol
  • Pose 8: -7.42 kcal/mol
  • Pose 9: -7.413 kcal/mol
CHEMBL525011_dpp4
Energy Plot
RMSD Scatter Plot