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

Docking Result

CHEMBL378086_dpp4

Atoms: 225
Models: 9
Best Energy: -7.953 kcal/mol

Binding Energies:
  • Pose 1: -7.953 kcal/mol
  • Pose 2: -7.5 kcal/mol
  • Pose 3: -7.385 kcal/mol
  • Pose 4: -7.345 kcal/mol
  • Pose 5: -7.33 kcal/mol
  • Pose 6: -6.976 kcal/mol
  • Pose 7: -6.931 kcal/mol
  • Pose 8: -6.916 kcal/mol
  • Pose 9: -6.791 kcal/mol
CHEMBL378086_dpp4
Energy Plot
RMSD Scatter Plot