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

Docking Result

CHEMBL260197_dpp4

Atoms: 198
Models: 9
Best Energy: -6.488 kcal/mol

Binding Energies:
  • Pose 1: -6.488 kcal/mol
  • Pose 2: -6.192 kcal/mol
  • Pose 3: -6.104 kcal/mol
  • Pose 4: -5.966 kcal/mol
  • Pose 5: -5.876 kcal/mol
  • Pose 6: -5.867 kcal/mol
  • Pose 7: -5.623 kcal/mol
  • Pose 8: -5.506 kcal/mol
  • Pose 9: -5.441 kcal/mol
CHEMBL260197_dpp4
Energy Plot
RMSD Scatter Plot