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

Docking Result

CHEMBL1688427_dpp4

Atoms: 234
Models: 9
Best Energy: -7.344 kcal/mol

Binding Energies:
  • Pose 1: -7.344 kcal/mol
  • Pose 2: -7.046 kcal/mol
  • Pose 3: -7.003 kcal/mol
  • Pose 4: -6.979 kcal/mol
  • Pose 5: -6.957 kcal/mol
  • Pose 6: -6.699 kcal/mol
  • Pose 7: -6.614 kcal/mol
  • Pose 8: -6.589 kcal/mol
  • Pose 9: -6.577 kcal/mol
CHEMBL1688427_dpp4
Energy Plot
RMSD Scatter Plot