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

Docking Result

CHEMBL1683558_dpp4

Atoms: 261
Models: 9
Best Energy: -8.239 kcal/mol

Binding Energies:
  • Pose 1: -8.239 kcal/mol
  • Pose 2: -8.104 kcal/mol
  • Pose 3: -7.984 kcal/mol
  • Pose 4: -7.924 kcal/mol
  • Pose 5: -7.788 kcal/mol
  • Pose 6: -7.661 kcal/mol
  • Pose 7: -7.654 kcal/mol
  • Pose 8: -7.633 kcal/mol
  • Pose 9: -7.627 kcal/mol
CHEMBL1683558_dpp4
Energy Plot
RMSD Scatter Plot