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

Docking Result

CHEMBL440021_dpp4

Atoms: 189
Models: 9
Best Energy: -7.949 kcal/mol

Binding Energies:
  • Pose 1: -7.949 kcal/mol
  • Pose 2: -7.359 kcal/mol
  • Pose 3: -7.101 kcal/mol
  • Pose 4: -6.938 kcal/mol
  • Pose 5: -6.641 kcal/mol
  • Pose 6: -6.552 kcal/mol
  • Pose 7: -6.541 kcal/mol
  • Pose 8: -6.493 kcal/mol
  • Pose 9: -6.489 kcal/mol
CHEMBL440021_dpp4
Energy Plot
RMSD Scatter Plot