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

Docking Result

CHEMBL398492_dpp4

Atoms: 279
Models: 9
Best Energy: -8.327 kcal/mol

Binding Energies:
  • Pose 1: -8.327 kcal/mol
  • Pose 2: -8.242 kcal/mol
  • Pose 3: -7.608 kcal/mol
  • Pose 4: -7.552 kcal/mol
  • Pose 5: -7.17 kcal/mol
  • Pose 6: -7.163 kcal/mol
  • Pose 7: -7.131 kcal/mol
  • Pose 8: -7.016 kcal/mol
  • Pose 9: -6.984 kcal/mol
CHEMBL398492_dpp4
Energy Plot
RMSD Scatter Plot