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

Docking Result

CHEMBL217339_dpp4

Atoms: 261
Models: 9
Best Energy: -7.482 kcal/mol

Binding Energies:
  • Pose 1: -7.482 kcal/mol
  • Pose 2: -7.352 kcal/mol
  • Pose 3: -7.232 kcal/mol
  • Pose 4: -7.113 kcal/mol
  • Pose 5: -7.013 kcal/mol
  • Pose 6: -6.968 kcal/mol
  • Pose 7: -6.841 kcal/mol
  • Pose 8: -6.841 kcal/mol
  • Pose 9: -6.824 kcal/mol
CHEMBL217339_dpp4
Energy Plot
RMSD Scatter Plot