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

Docking Result

CHEMBL323129_dpp4

Atoms: 189
Models: 9
Best Energy: -6.809 kcal/mol

Binding Energies:
  • Pose 1: -6.809 kcal/mol
  • Pose 2: -6.761 kcal/mol
  • Pose 3: -6.351 kcal/mol
  • Pose 4: -6.123 kcal/mol
  • Pose 5: -6.114 kcal/mol
  • Pose 6: -5.998 kcal/mol
  • Pose 7: -5.911 kcal/mol
  • Pose 8: -5.759 kcal/mol
  • Pose 9: -5.758 kcal/mol
CHEMBL323129_dpp4
Energy Plot
RMSD Scatter Plot