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

Docking Result

CHEMBL2408643_dpp4

Atoms: 306
Models: 9
Best Energy: -8.744 kcal/mol

Binding Energies:
  • Pose 1: -8.744 kcal/mol
  • Pose 2: -8.445 kcal/mol
  • Pose 3: -8.278 kcal/mol
  • Pose 4: -7.961 kcal/mol
  • Pose 5: -7.791 kcal/mol
  • Pose 6: -7.69 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.68 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL2408643_dpp4
Energy Plot
RMSD Scatter Plot