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

Docking Result

CHEMBL5555832_dpp4

Atoms: 396
Models: 9
Best Energy: -10.345 kcal/mol

Binding Energies:
  • Pose 1: -10.345 kcal/mol
  • Pose 2: -10.143 kcal/mol
  • Pose 3: -10.063 kcal/mol
  • Pose 4: -9.861 kcal/mol
  • Pose 5: -9.791 kcal/mol
  • Pose 6: -9.697 kcal/mol
  • Pose 7: -9.683 kcal/mol
  • Pose 8: -9.591 kcal/mol
  • Pose 9: -9.514 kcal/mol
CHEMBL5555832_dpp4
Energy Plot
RMSD Scatter Plot