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

Docking Result

CHEMBL2206487_dpp4

Atoms: 333
Models: 9
Best Energy: -7.252 kcal/mol

Binding Energies:
  • Pose 1: -7.252 kcal/mol
  • Pose 2: -7.192 kcal/mol
  • Pose 3: -7.068 kcal/mol
  • Pose 4: -6.99 kcal/mol
  • Pose 5: -6.966 kcal/mol
  • Pose 6: -6.746 kcal/mol
  • Pose 7: -6.703 kcal/mol
  • Pose 8: -6.593 kcal/mol
  • Pose 9: -6.546 kcal/mol
CHEMBL2206487_dpp4
Energy Plot
RMSD Scatter Plot