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

Docking Result

CHEMBL482104_dpp4

Atoms: 261
Models: 9
Best Energy: -8.095 kcal/mol

Binding Energies:
  • Pose 1: -8.095 kcal/mol
  • Pose 2: -7.964 kcal/mol
  • Pose 3: -7.928 kcal/mol
  • Pose 4: -7.591 kcal/mol
  • Pose 5: -7.468 kcal/mol
  • Pose 6: -7.371 kcal/mol
  • Pose 7: -7.195 kcal/mol
  • Pose 8: -7.181 kcal/mol
  • Pose 9: -7.163 kcal/mol
CHEMBL482104_dpp4
Energy Plot
RMSD Scatter Plot