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

Docking Result

CHEMBL348246_dpp4

Atoms: 136
Models: 8
Best Energy: -5.018 kcal/mol

Binding Energies:
  • Pose 1: -5.018 kcal/mol
  • Pose 2: -4.898 kcal/mol
  • Pose 3: -4.882 kcal/mol
  • Pose 4: -4.765 kcal/mol
  • Pose 5: -4.719 kcal/mol
  • Pose 6: -4.624 kcal/mol
  • Pose 7: -4.56 kcal/mol
  • Pose 8: -4.542 kcal/mol
CHEMBL348246_dpp4
Energy Plot
RMSD Scatter Plot