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

Docking Result

CHEMBL1083588_dpp4

Atoms: 234
Models: 9
Best Energy: -7.912 kcal/mol

Binding Energies:
  • Pose 1: -7.912 kcal/mol
  • Pose 2: -7.336 kcal/mol
  • Pose 3: -7.32 kcal/mol
  • Pose 4: -7.231 kcal/mol
  • Pose 5: -7.18 kcal/mol
  • Pose 6: -7.138 kcal/mol
  • Pose 7: -6.923 kcal/mol
  • Pose 8: -6.909 kcal/mol
  • Pose 9: -6.898 kcal/mol
CHEMBL1083588_dpp4
Energy Plot
RMSD Scatter Plot