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

Docking Result

CHEMBL364385_dpp4

Atoms: 405
Models: 9
Best Energy: -8.744 kcal/mol

Binding Energies:
  • Pose 1: -8.744 kcal/mol
  • Pose 2: -8.713 kcal/mol
  • Pose 3: -8.64 kcal/mol
  • Pose 4: -8.564 kcal/mol
  • Pose 5: -8.515 kcal/mol
  • Pose 6: -8.512 kcal/mol
  • Pose 7: -8.423 kcal/mol
  • Pose 8: -8.28 kcal/mol
  • Pose 9: -8.271 kcal/mol
CHEMBL364385_dpp4
Energy Plot
RMSD Scatter Plot