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

Docking Result

CHEMBL2408774_dpp4

Atoms: 315
Models: 9
Best Energy: -8.822 kcal/mol

Binding Energies:
  • Pose 1: -8.822 kcal/mol
  • Pose 2: -8.648 kcal/mol
  • Pose 3: -8.518 kcal/mol
  • Pose 4: -8.5 kcal/mol
  • Pose 5: -8.17 kcal/mol
  • Pose 6: -8.093 kcal/mol
  • Pose 7: -7.961 kcal/mol
  • Pose 8: -7.907 kcal/mol
  • Pose 9: -7.786 kcal/mol
CHEMBL2408774_dpp4
Energy Plot
RMSD Scatter Plot