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

Docking Result

CHEMBL1683139_dpp4

Atoms: 225
Models: 9
Best Energy: -7.722 kcal/mol

Binding Energies:
  • Pose 1: -7.722 kcal/mol
  • Pose 2: -7.508 kcal/mol
  • Pose 3: -7.244 kcal/mol
  • Pose 4: -7.193 kcal/mol
  • Pose 5: -7.133 kcal/mol
  • Pose 6: -6.991 kcal/mol
  • Pose 7: -6.982 kcal/mol
  • Pose 8: -6.978 kcal/mol
  • Pose 9: -6.796 kcal/mol
CHEMBL1683139_dpp4
Energy Plot
RMSD Scatter Plot