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

Docking Result

CHEMBL2425070_dpp4

Atoms: 234
Models: 9
Best Energy: -8.441 kcal/mol

Binding Energies:
  • Pose 1: -8.441 kcal/mol
  • Pose 2: -8.423 kcal/mol
  • Pose 3: -8.237 kcal/mol
  • Pose 4: -8.158 kcal/mol
  • Pose 5: -8.142 kcal/mol
  • Pose 6: -7.686 kcal/mol
  • Pose 7: -7.63 kcal/mol
  • Pose 8: -7.548 kcal/mol
  • Pose 9: -7.418 kcal/mol
CHEMBL2425070_dpp4
Energy Plot
RMSD Scatter Plot