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

Docking Result

CHEMBL6162868_dpp4

Atoms: 342
Models: 9
Best Energy: -8.403 kcal/mol

Binding Energies:
  • Pose 1: -8.403 kcal/mol
  • Pose 2: -8.388 kcal/mol
  • Pose 3: -8.197 kcal/mol
  • Pose 4: -8.138 kcal/mol
  • Pose 5: -8.127 kcal/mol
  • Pose 6: -8.092 kcal/mol
  • Pose 7: -8.016 kcal/mol
  • Pose 8: -7.97 kcal/mol
  • Pose 9: -7.845 kcal/mol
CHEMBL6162868_dpp4
Energy Plot
RMSD Scatter Plot