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

Docking Result

CHEMBL3127979_dpp4

Atoms: 171
Models: 9
Best Energy: -6.493 kcal/mol

Binding Energies:
  • Pose 1: -6.493 kcal/mol
  • Pose 2: -6.34 kcal/mol
  • Pose 3: -6.114 kcal/mol
  • Pose 4: -6.092 kcal/mol
  • Pose 5: -5.996 kcal/mol
  • Pose 6: -5.968 kcal/mol
  • Pose 7: -5.958 kcal/mol
  • Pose 8: -5.957 kcal/mol
  • Pose 9: -5.956 kcal/mol
CHEMBL3127979_dpp4
Energy Plot
RMSD Scatter Plot