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

Docking Result

CHEMBL2206466_dpp4

Atoms: 333
Models: 9
Best Energy: -9.328 kcal/mol

Binding Energies:
  • Pose 1: -9.328 kcal/mol
  • Pose 2: -9.292 kcal/mol
  • Pose 3: -9.122 kcal/mol
  • Pose 4: -9.054 kcal/mol
  • Pose 5: -9.003 kcal/mol
  • Pose 6: -9.001 kcal/mol
  • Pose 7: -8.971 kcal/mol
  • Pose 8: -8.905 kcal/mol
  • Pose 9: -8.71 kcal/mol
CHEMBL2206466_dpp4
Energy Plot
RMSD Scatter Plot