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

Docking Result

CHEMBL504237_dpp4

Atoms: 184
Models: 8
Best Energy: -6.375 kcal/mol

Binding Energies:
  • Pose 1: -6.375 kcal/mol
  • Pose 2: -6.133 kcal/mol
  • Pose 3: -6.097 kcal/mol
  • Pose 4: -6.077 kcal/mol
  • Pose 5: -6.002 kcal/mol
  • Pose 6: -5.859 kcal/mol
  • Pose 7: -5.816 kcal/mol
  • Pose 8: -5.692 kcal/mol
CHEMBL504237_dpp4
Energy Plot
RMSD Scatter Plot