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

Docking Result

CHEMBL6008762_dpp4

Atoms: 333
Models: 9
Best Energy: -10.847 kcal/mol

Binding Energies:
  • Pose 1: -10.847 kcal/mol
  • Pose 2: -10.432 kcal/mol
  • Pose 3: -10.362 kcal/mol
  • Pose 4: -10.172 kcal/mol
  • Pose 5: -10.074 kcal/mol
  • Pose 6: -10.054 kcal/mol
  • Pose 7: -10.012 kcal/mol
  • Pose 8: -9.988 kcal/mol
  • Pose 9: -9.938 kcal/mol
CHEMBL6008762_dpp4
Energy Plot
RMSD Scatter Plot