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

Docking Result

CHEMBL3236115_dpp4

Atoms: 243
Models: 9
Best Energy: -8.009 kcal/mol

Binding Energies:
  • Pose 1: -8.009 kcal/mol
  • Pose 2: -7.994 kcal/mol
  • Pose 3: -7.964 kcal/mol
  • Pose 4: -7.919 kcal/mol
  • Pose 5: -7.848 kcal/mol
  • Pose 6: -7.539 kcal/mol
  • Pose 7: -7.532 kcal/mol
  • Pose 8: -7.445 kcal/mol
  • Pose 9: -7.361 kcal/mol
CHEMBL3236115_dpp4
Energy Plot
RMSD Scatter Plot