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

Docking Result

CHEMBL6188802_dpp4

Atoms: 234
Models: 9
Best Energy: -8.314 kcal/mol

Binding Energies:
  • Pose 1: -8.314 kcal/mol
  • Pose 2: -8.229 kcal/mol
  • Pose 3: -8.112 kcal/mol
  • Pose 4: -8.019 kcal/mol
  • Pose 5: -7.99 kcal/mol
  • Pose 6: -7.806 kcal/mol
  • Pose 7: -7.75 kcal/mol
  • Pose 8: -7.603 kcal/mol
  • Pose 9: -7.217 kcal/mol
CHEMBL6188802_dpp4
Energy Plot
RMSD Scatter Plot