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

Docking Result

CHEMBL1194345_dpp4

Atoms: 225
Models: 9
Best Energy: -7.945 kcal/mol

Binding Energies:
  • Pose 1: -7.945 kcal/mol
  • Pose 2: -7.693 kcal/mol
  • Pose 3: -7.424 kcal/mol
  • Pose 4: -7.322 kcal/mol
  • Pose 5: -7.169 kcal/mol
  • Pose 6: -7.084 kcal/mol
  • Pose 7: -7.019 kcal/mol
  • Pose 8: -6.818 kcal/mol
  • Pose 9: -6.718 kcal/mol
CHEMBL1194345_dpp4
Energy Plot
RMSD Scatter Plot