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

Docking Result

CHEMBL5399929_dpp4

Atoms: 306
Models: 9
Best Energy: -9.188 kcal/mol

Binding Energies:
  • Pose 1: -9.188 kcal/mol
  • Pose 2: -8.895 kcal/mol
  • Pose 3: -8.571 kcal/mol
  • Pose 4: -8.339 kcal/mol
  • Pose 5: -8.297 kcal/mol
  • Pose 6: -8.29 kcal/mol
  • Pose 7: -8.151 kcal/mol
  • Pose 8: -8.119 kcal/mol
  • Pose 9: -8.071 kcal/mol
CHEMBL5399929_dpp4
Energy Plot
RMSD Scatter Plot