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

Docking Result

CHEMBL391089_dpp4

Atoms: 333
Models: 9
Best Energy: -9.396 kcal/mol

Binding Energies:
  • Pose 1: -9.396 kcal/mol
  • Pose 2: -9.016 kcal/mol
  • Pose 3: -8.874 kcal/mol
  • Pose 4: -8.835 kcal/mol
  • Pose 5: -8.694 kcal/mol
  • Pose 6: -8.609 kcal/mol
  • Pose 7: -8.587 kcal/mol
  • Pose 8: -8.476 kcal/mol
  • Pose 9: -8.358 kcal/mol
CHEMBL391089_dpp4
Energy Plot
RMSD Scatter Plot