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

Docking Result

CHEMBL1688416_dpp4

Atoms: 225
Models: 9
Best Energy: -7.996 kcal/mol

Binding Energies:
  • Pose 1: -7.996 kcal/mol
  • Pose 2: -7.901 kcal/mol
  • Pose 3: -7.789 kcal/mol
  • Pose 4: -7.361 kcal/mol
  • Pose 5: -7.296 kcal/mol
  • Pose 6: -7.28 kcal/mol
  • Pose 7: -7.174 kcal/mol
  • Pose 8: -7.109 kcal/mol
  • Pose 9: -6.976 kcal/mol
CHEMBL1688416_dpp4
Energy Plot
RMSD Scatter Plot