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

Docking Result

CHEMBL1086039_dpp4

Atoms: 243
Models: 9
Best Energy: -6.838 kcal/mol

Binding Energies:
  • Pose 1: -6.838 kcal/mol
  • Pose 2: -6.315 kcal/mol
  • Pose 3: -6.148 kcal/mol
  • Pose 4: -6.075 kcal/mol
  • Pose 5: -6.003 kcal/mol
  • Pose 6: -5.933 kcal/mol
  • Pose 7: -5.866 kcal/mol
  • Pose 8: -5.803 kcal/mol
  • Pose 9: -5.8 kcal/mol
CHEMBL1086039_dpp4
Energy Plot
RMSD Scatter Plot