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

Docking Result

CHEMBL2153743_dpp4

Atoms: 333
Models: 9
Best Energy: -8.532 kcal/mol

Binding Energies:
  • Pose 1: -8.532 kcal/mol
  • Pose 2: -8.139 kcal/mol
  • Pose 3: -8.023 kcal/mol
  • Pose 4: -8.003 kcal/mol
  • Pose 5: -7.909 kcal/mol
  • Pose 6: -7.861 kcal/mol
  • Pose 7: -7.829 kcal/mol
  • Pose 8: -7.816 kcal/mol
  • Pose 9: -7.679 kcal/mol
CHEMBL2153743_dpp4
Energy Plot
RMSD Scatter Plot