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

Docking Result

CHEMBL3329689_dpp4

Atoms: 243
Models: 9
Best Energy: -8.133 kcal/mol

Binding Energies:
  • Pose 1: -8.133 kcal/mol
  • Pose 2: -7.523 kcal/mol
  • Pose 3: -7.295 kcal/mol
  • Pose 4: -7.255 kcal/mol
  • Pose 5: -6.983 kcal/mol
  • Pose 6: -6.8 kcal/mol
  • Pose 7: -6.757 kcal/mol
  • Pose 8: -6.557 kcal/mol
  • Pose 9: -6.411 kcal/mol
CHEMBL3329689_dpp4
Energy Plot
RMSD Scatter Plot