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

Docking Result

CHEMBL233685_dpp4

Atoms: 252
Models: 9
Best Energy: -7.442 kcal/mol

Binding Energies:
  • Pose 1: -7.442 kcal/mol
  • Pose 2: -7.129 kcal/mol
  • Pose 3: -7.059 kcal/mol
  • Pose 4: -7.055 kcal/mol
  • Pose 5: -7.024 kcal/mol
  • Pose 6: -6.904 kcal/mol
  • Pose 7: -6.809 kcal/mol
  • Pose 8: -6.797 kcal/mol
  • Pose 9: -6.695 kcal/mol
CHEMBL233685_dpp4
Energy Plot
RMSD Scatter Plot