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

Docking Result

CHEMBL1650441_dpp4

Atoms: 243
Models: 9
Best Energy: -7.67 kcal/mol

Binding Energies:
  • Pose 1: -7.67 kcal/mol
  • Pose 2: -7.194 kcal/mol
  • Pose 3: -7.065 kcal/mol
  • Pose 4: -7.019 kcal/mol
  • Pose 5: -6.952 kcal/mol
  • Pose 6: -6.936 kcal/mol
  • Pose 7: -6.901 kcal/mol
  • Pose 8: -6.886 kcal/mol
  • Pose 9: -6.832 kcal/mol
CHEMBL1650441_dpp4
Energy Plot
RMSD Scatter Plot