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

Docking Result

CHEMBL392907_dpp4

Atoms: 243
Models: 9
Best Energy: -8.714 kcal/mol

Binding Energies:
  • Pose 1: -8.714 kcal/mol
  • Pose 2: -8.641 kcal/mol
  • Pose 3: -8.431 kcal/mol
  • Pose 4: -8.294 kcal/mol
  • Pose 5: -8.224 kcal/mol
  • Pose 6: -8.19 kcal/mol
  • Pose 7: -8.038 kcal/mol
  • Pose 8: -7.931 kcal/mol
  • Pose 9: -7.896 kcal/mol
CHEMBL392907_dpp4
Energy Plot
RMSD Scatter Plot