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

Docking Result

CHEMBL480914_dpp4

Atoms: 252
Models: 9
Best Energy: -7.201 kcal/mol

Binding Energies:
  • Pose 1: -7.201 kcal/mol
  • Pose 2: -7.1 kcal/mol
  • Pose 3: -7.092 kcal/mol
  • Pose 4: -7.073 kcal/mol
  • Pose 5: -6.972 kcal/mol
  • Pose 6: -6.967 kcal/mol
  • Pose 7: -6.901 kcal/mol
  • Pose 8: -6.836 kcal/mol
  • Pose 9: -6.806 kcal/mol
CHEMBL480914_dpp4
Energy Plot
RMSD Scatter Plot