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

Docking Result

CHEMBL147314_dpp4

Atoms: 144
Models: 9
Best Energy: -5.74 kcal/mol

Binding Energies:
  • Pose 1: -5.74 kcal/mol
  • Pose 2: -5.567 kcal/mol
  • Pose 3: -5.531 kcal/mol
  • Pose 4: -5.232 kcal/mol
  • Pose 5: -5.097 kcal/mol
  • Pose 6: -5.095 kcal/mol
  • Pose 7: -5.036 kcal/mol
  • Pose 8: -4.943 kcal/mol
  • Pose 9: -4.936 kcal/mol
CHEMBL147314_dpp4
Energy Plot
RMSD Scatter Plot