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

Docking Result

CHEMBL428937_dpp4

Atoms: 216
Models: 9
Best Energy: -7.77 kcal/mol

Binding Energies:
  • Pose 1: -7.77 kcal/mol
  • Pose 2: -7.45 kcal/mol
  • Pose 3: -6.927 kcal/mol
  • Pose 4: -6.925 kcal/mol
  • Pose 5: -6.923 kcal/mol
  • Pose 6: -6.885 kcal/mol
  • Pose 7: -6.786 kcal/mol
  • Pose 8: -6.762 kcal/mol
  • Pose 9: -6.645 kcal/mol
CHEMBL428937_dpp4
Energy Plot
RMSD Scatter Plot