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

Docking Result

CHEMBL5220053_dpp4

Atoms: 198
Models: 9
Best Energy: -6.187 kcal/mol

Binding Energies:
  • Pose 1: -6.187 kcal/mol
  • Pose 2: -5.999 kcal/mol
  • Pose 3: -5.935 kcal/mol
  • Pose 4: -5.88 kcal/mol
  • Pose 5: -5.879 kcal/mol
  • Pose 6: -5.846 kcal/mol
  • Pose 7: -5.841 kcal/mol
  • Pose 8: -5.575 kcal/mol
  • Pose 9: -5.529 kcal/mol
CHEMBL5220053_dpp4
Energy Plot
RMSD Scatter Plot