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

Docking Result

CHEMBL1683090_dpp4

Atoms: 270
Models: 9
Best Energy: -8.058 kcal/mol

Binding Energies:
  • Pose 1: -8.058 kcal/mol
  • Pose 2: -7.978 kcal/mol
  • Pose 3: -7.975 kcal/mol
  • Pose 4: -7.954 kcal/mol
  • Pose 5: -7.858 kcal/mol
  • Pose 6: -7.656 kcal/mol
  • Pose 7: -7.541 kcal/mol
  • Pose 8: -7.327 kcal/mol
  • Pose 9: -7.317 kcal/mol
CHEMBL1683090_dpp4
Energy Plot
RMSD Scatter Plot