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

Docking Result

CHEMBL391466_dpp4

Atoms: 252
Models: 9
Best Energy: -7.429 kcal/mol

Binding Energies:
  • Pose 1: -7.429 kcal/mol
  • Pose 2: -7.202 kcal/mol
  • Pose 3: -6.991 kcal/mol
  • Pose 4: -6.9 kcal/mol
  • Pose 5: -6.779 kcal/mol
  • Pose 6: -6.758 kcal/mol
  • Pose 7: -6.651 kcal/mol
  • Pose 8: -6.616 kcal/mol
  • Pose 9: -6.459 kcal/mol
CHEMBL391466_dpp4
Energy Plot
RMSD Scatter Plot