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

Docking Result

CHEMBL4434648_dpp4

Atoms: 324
Models: 9
Best Energy: -8.362 kcal/mol

Binding Energies:
  • Pose 1: -8.362 kcal/mol
  • Pose 2: -8.305 kcal/mol
  • Pose 3: -8.242 kcal/mol
  • Pose 4: -8.183 kcal/mol
  • Pose 5: -8.148 kcal/mol
  • Pose 6: -7.978 kcal/mol
  • Pose 7: -7.911 kcal/mol
  • Pose 8: -7.89 kcal/mol
  • Pose 9: -7.803 kcal/mol
CHEMBL4434648_dpp4
Energy Plot
RMSD Scatter Plot