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

Docking Result

CHEMBL2022535_dpp4

Atoms: 225
Models: 9
Best Energy: -8.54 kcal/mol

Binding Energies:
  • Pose 1: -8.54 kcal/mol
  • Pose 2: -8.353 kcal/mol
  • Pose 3: -8.331 kcal/mol
  • Pose 4: -8.175 kcal/mol
  • Pose 5: -8.171 kcal/mol
  • Pose 6: -8.097 kcal/mol
  • Pose 7: -8.083 kcal/mol
  • Pose 8: -8.08 kcal/mol
  • Pose 9: -8.037 kcal/mol
CHEMBL2022535_dpp4
Energy Plot
RMSD Scatter Plot