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

Docking Result

CHEMBL375414_dpp4

Atoms: 225
Models: 9
Best Energy: -8.124 kcal/mol

Binding Energies:
  • Pose 1: -8.124 kcal/mol
  • Pose 2: -7.921 kcal/mol
  • Pose 3: -7.762 kcal/mol
  • Pose 4: -7.388 kcal/mol
  • Pose 5: -7.388 kcal/mol
  • Pose 6: -7.345 kcal/mol
  • Pose 7: -7.335 kcal/mol
  • Pose 8: -7.066 kcal/mol
  • Pose 9: -7.008 kcal/mol
CHEMBL375414_dpp4
Energy Plot
RMSD Scatter Plot