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

Docking Result

CHEMBL215824_dpp4

Atoms: 225
Models: 9
Best Energy: -7.135 kcal/mol

Binding Energies:
  • Pose 1: -7.135 kcal/mol
  • Pose 2: -7.081 kcal/mol
  • Pose 3: -7.017 kcal/mol
  • Pose 4: -6.973 kcal/mol
  • Pose 5: -6.846 kcal/mol
  • Pose 6: -6.772 kcal/mol
  • Pose 7: -6.603 kcal/mol
  • Pose 8: -6.591 kcal/mol
  • Pose 9: -6.417 kcal/mol
CHEMBL215824_dpp4
Energy Plot
RMSD Scatter Plot