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

Docking Result

CHEMBL391645_dpp4

Atoms: 252
Models: 9
Best Energy: -7.44 kcal/mol

Binding Energies:
  • Pose 1: -7.44 kcal/mol
  • Pose 2: -7.288 kcal/mol
  • Pose 3: -7.111 kcal/mol
  • Pose 4: -7.024 kcal/mol
  • Pose 5: -7.013 kcal/mol
  • Pose 6: -6.981 kcal/mol
  • Pose 7: -6.937 kcal/mol
  • Pose 8: -6.891 kcal/mol
  • Pose 9: -6.871 kcal/mol
CHEMBL391645_dpp4
Energy Plot
RMSD Scatter Plot