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

Docking Result

CHEMBL2408638_dpp4

Atoms: 315
Models: 9
Best Energy: -8.073 kcal/mol

Binding Energies:
  • Pose 1: -8.073 kcal/mol
  • Pose 2: -7.701 kcal/mol
  • Pose 3: -7.606 kcal/mol
  • Pose 4: -7.568 kcal/mol
  • Pose 5: -7.445 kcal/mol
  • Pose 6: -7.242 kcal/mol
  • Pose 7: -7.222 kcal/mol
  • Pose 8: -7.054 kcal/mol
  • Pose 9: -6.886 kcal/mol
CHEMBL2408638_dpp4
Energy Plot
RMSD Scatter Plot