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

Docking Result

CHEMBL480781_dpp4

Atoms: 279
Models: 9
Best Energy: -8.311 kcal/mol

Binding Energies:
  • Pose 1: -8.311 kcal/mol
  • Pose 2: -7.984 kcal/mol
  • Pose 3: -7.876 kcal/mol
  • Pose 4: -7.863 kcal/mol
  • Pose 5: -7.81 kcal/mol
  • Pose 6: -7.771 kcal/mol
  • Pose 7: -7.609 kcal/mol
  • Pose 8: -7.566 kcal/mol
  • Pose 9: -7.491 kcal/mol
CHEMBL480781_dpp4
Energy Plot
RMSD Scatter Plot