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

Docking Result

CHEMBL451619_dpp4

Atoms: 189
Models: 9
Best Energy: -7.035 kcal/mol

Binding Energies:
  • Pose 1: -7.035 kcal/mol
  • Pose 2: -6.991 kcal/mol
  • Pose 3: -6.952 kcal/mol
  • Pose 4: -6.886 kcal/mol
  • Pose 5: -6.621 kcal/mol
  • Pose 6: -6.55 kcal/mol
  • Pose 7: -6.512 kcal/mol
  • Pose 8: -6.378 kcal/mol
  • Pose 9: -6.252 kcal/mol
CHEMBL451619_dpp4
Energy Plot
RMSD Scatter Plot