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

Docking Result

CHEMBL488469_dpp4

Atoms: 270
Models: 9
Best Energy: -8.013 kcal/mol

Binding Energies:
  • Pose 1: -8.013 kcal/mol
  • Pose 2: -7.423 kcal/mol
  • Pose 3: -7.408 kcal/mol
  • Pose 4: -7.371 kcal/mol
  • Pose 5: -7.371 kcal/mol
  • Pose 6: -7.347 kcal/mol
  • Pose 7: -7.275 kcal/mol
  • Pose 8: -7.109 kcal/mol
  • Pose 9: -7.108 kcal/mol
CHEMBL488469_dpp4
Energy Plot
RMSD Scatter Plot