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

Docking Result

CHEMBL227737_dpp4

Atoms: 216
Models: 9
Best Energy: -7.496 kcal/mol

Binding Energies:
  • Pose 1: -7.496 kcal/mol
  • Pose 2: -7.32 kcal/mol
  • Pose 3: -7.084 kcal/mol
  • Pose 4: -7.04 kcal/mol
  • Pose 5: -7.018 kcal/mol
  • Pose 6: -6.64 kcal/mol
  • Pose 7: -6.631 kcal/mol
  • Pose 8: -6.626 kcal/mol
  • Pose 9: -6.596 kcal/mol
CHEMBL227737_dpp4
Energy Plot
RMSD Scatter Plot