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

Docking Result

CHEMBL1779697_dpp4

Atoms: 315
Models: 9
Best Energy: -8.338 kcal/mol

Binding Energies:
  • Pose 1: -8.338 kcal/mol
  • Pose 2: -8.224 kcal/mol
  • Pose 3: -8.146 kcal/mol
  • Pose 4: -7.971 kcal/mol
  • Pose 5: -7.925 kcal/mol
  • Pose 6: -7.861 kcal/mol
  • Pose 7: -7.835 kcal/mol
  • Pose 8: -7.786 kcal/mol
  • Pose 9: -7.678 kcal/mol
CHEMBL1779697_dpp4
Energy Plot
RMSD Scatter Plot