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

Docking Result

CHEMBL5418259_dpp4

Atoms: 333
Models: 9
Best Energy: -9.836 kcal/mol

Binding Energies:
  • Pose 1: -9.836 kcal/mol
  • Pose 2: -9.224 kcal/mol
  • Pose 3: -9.219 kcal/mol
  • Pose 4: -9.179 kcal/mol
  • Pose 5: -9.138 kcal/mol
  • Pose 6: -9.011 kcal/mol
  • Pose 7: -8.912 kcal/mol
  • Pose 8: -8.864 kcal/mol
  • Pose 9: -8.764 kcal/mol
CHEMBL5418259_dpp4
Energy Plot
RMSD Scatter Plot