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

Docking Result

CHEMBL1688525_dpp4

Atoms: 243
Models: 9
Best Energy: -8.117 kcal/mol

Binding Energies:
  • Pose 1: -8.117 kcal/mol
  • Pose 2: -7.524 kcal/mol
  • Pose 3: -7.403 kcal/mol
  • Pose 4: -7.334 kcal/mol
  • Pose 5: -7.313 kcal/mol
  • Pose 6: -7.204 kcal/mol
  • Pose 7: -7.202 kcal/mol
  • Pose 8: -7.076 kcal/mol
  • Pose 9: -7.047 kcal/mol
CHEMBL1688525_dpp4
Energy Plot
RMSD Scatter Plot