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

Docking Result

CHEMBL5288509_dpp4

Atoms: 225
Models: 9
Best Energy: -7.578 kcal/mol

Binding Energies:
  • Pose 1: -7.578 kcal/mol
  • Pose 2: -7.43 kcal/mol
  • Pose 3: -7.312 kcal/mol
  • Pose 4: -7.241 kcal/mol
  • Pose 5: -7.204 kcal/mol
  • Pose 6: -7.154 kcal/mol
  • Pose 7: -7.148 kcal/mol
  • Pose 8: -7.131 kcal/mol
  • Pose 9: -7.055 kcal/mol
CHEMBL5288509_dpp4
Energy Plot
RMSD Scatter Plot