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

Docking Result

CHEMBL2385283_dpp4

Atoms: 216
Models: 9
Best Energy: -8.34 kcal/mol

Binding Energies:
  • Pose 1: -8.34 kcal/mol
  • Pose 2: -8.222 kcal/mol
  • Pose 3: -8.195 kcal/mol
  • Pose 4: -8.182 kcal/mol
  • Pose 5: -8.176 kcal/mol
  • Pose 6: -7.686 kcal/mol
  • Pose 7: -7.626 kcal/mol
  • Pose 8: -7.461 kcal/mol
  • Pose 9: -7.39 kcal/mol
CHEMBL2385283_dpp4
Energy Plot
RMSD Scatter Plot