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

Docking Result

CHEMBL442952_dpp4

Atoms: 135
Models: 9
Best Energy: -5.229 kcal/mol

Binding Energies:
  • Pose 1: -5.229 kcal/mol
  • Pose 2: -5.15 kcal/mol
  • Pose 3: -5.118 kcal/mol
  • Pose 4: -5.047 kcal/mol
  • Pose 5: -5.035 kcal/mol
  • Pose 6: -5.029 kcal/mol
  • Pose 7: -5.02 kcal/mol
  • Pose 8: -5.018 kcal/mol
  • Pose 9: -4.841 kcal/mol
CHEMBL442952_dpp4
Energy Plot
RMSD Scatter Plot