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

Docking Result

CHEMBL3920977_dpp4

Atoms: 216
Models: 9
Best Energy: -7.954 kcal/mol

Binding Energies:
  • Pose 1: -7.954 kcal/mol
  • Pose 2: -7.882 kcal/mol
  • Pose 3: -7.863 kcal/mol
  • Pose 4: -7.781 kcal/mol
  • Pose 5: -7.728 kcal/mol
  • Pose 6: -7.719 kcal/mol
  • Pose 7: -7.679 kcal/mol
  • Pose 8: -7.537 kcal/mol
  • Pose 9: -7.533 kcal/mol
CHEMBL3920977_dpp4
Energy Plot
RMSD Scatter Plot