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

Docking Result

CHEMBL2346922_dpp4

Atoms: 270
Models: 9
Best Energy: -7.386 kcal/mol

Binding Energies:
  • Pose 1: -7.386 kcal/mol
  • Pose 2: -7.039 kcal/mol
  • Pose 3: -6.975 kcal/mol
  • Pose 4: -6.947 kcal/mol
  • Pose 5: -6.912 kcal/mol
  • Pose 6: -6.831 kcal/mol
  • Pose 7: -6.818 kcal/mol
  • Pose 8: -6.794 kcal/mol
  • Pose 9: -6.563 kcal/mol
CHEMBL2346922_dpp4
Energy Plot
RMSD Scatter Plot