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

Docking Result

CHEMBL399348_dpp4

Atoms: 252
Models: 9
Best Energy: -8.106 kcal/mol

Binding Energies:
  • Pose 1: -8.106 kcal/mol
  • Pose 2: -8.074 kcal/mol
  • Pose 3: -8.015 kcal/mol
  • Pose 4: -7.969 kcal/mol
  • Pose 5: -7.948 kcal/mol
  • Pose 6: -7.854 kcal/mol
  • Pose 7: -7.582 kcal/mol
  • Pose 8: -7.376 kcal/mol
  • Pose 9: -7.274 kcal/mol
CHEMBL399348_dpp4
Energy Plot
RMSD Scatter Plot