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

Docking Result

CHEMBL5759838_dpp4

Atoms: 216
Models: 9
Best Energy: -7.44 kcal/mol

Binding Energies:
  • Pose 1: -7.44 kcal/mol
  • Pose 2: -7.388 kcal/mol
  • Pose 3: -7.228 kcal/mol
  • Pose 4: -7.223 kcal/mol
  • Pose 5: -6.662 kcal/mol
  • Pose 6: -6.625 kcal/mol
  • Pose 7: -6.585 kcal/mol
  • Pose 8: -6.512 kcal/mol
  • Pose 9: -6.474 kcal/mol
CHEMBL5759838_dpp4
Energy Plot
RMSD Scatter Plot