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

Docking Result

CHEMBL353590_dpp4

Atoms: 261
Models: 9
Best Energy: -7.764 kcal/mol

Binding Energies:
  • Pose 1: -7.764 kcal/mol
  • Pose 2: -7.662 kcal/mol
  • Pose 3: -7.557 kcal/mol
  • Pose 4: -7.452 kcal/mol
  • Pose 5: -7.376 kcal/mol
  • Pose 6: -7.303 kcal/mol
  • Pose 7: -7.221 kcal/mol
  • Pose 8: -7.179 kcal/mol
  • Pose 9: -7.054 kcal/mol
CHEMBL353590_dpp4
Energy Plot
RMSD Scatter Plot