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

Docking Result

CHEMBL36020_dpp4

Atoms: 243
Models: 9
Best Energy: -7.59 kcal/mol

Binding Energies:
  • Pose 1: -7.59 kcal/mol
  • Pose 2: -7.521 kcal/mol
  • Pose 3: -7.383 kcal/mol
  • Pose 4: -7.313 kcal/mol
  • Pose 5: -6.971 kcal/mol
  • Pose 6: -6.908 kcal/mol
  • Pose 7: -6.777 kcal/mol
  • Pose 8: -6.716 kcal/mol
  • Pose 9: -6.55 kcal/mol
CHEMBL36020_dpp4
Energy Plot
RMSD Scatter Plot