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

Docking Result

CHEMBL3912809_dpp4

Atoms: 342
Models: 9
Best Energy: -8.745 kcal/mol

Binding Energies:
  • Pose 1: -8.745 kcal/mol
  • Pose 2: -8.65 kcal/mol
  • Pose 3: -8.062 kcal/mol
  • Pose 4: -7.958 kcal/mol
  • Pose 5: -7.847 kcal/mol
  • Pose 6: -7.62 kcal/mol
  • Pose 7: -7.594 kcal/mol
  • Pose 8: -7.215 kcal/mol
  • Pose 9: -7.105 kcal/mol
CHEMBL3912809_dpp4
Energy Plot
RMSD Scatter Plot