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

Docking Result

CHEMBL3680637_dpp4

Atoms: 387
Models: 9
Best Energy: -8.122 kcal/mol

Binding Energies:
  • Pose 1: -8.122 kcal/mol
  • Pose 2: -8.043 kcal/mol
  • Pose 3: -7.728 kcal/mol
  • Pose 4: -7.657 kcal/mol
  • Pose 5: -7.609 kcal/mol
  • Pose 6: -7.582 kcal/mol
  • Pose 7: -7.529 kcal/mol
  • Pose 8: -7.502 kcal/mol
  • Pose 9: -7.338 kcal/mol
CHEMBL3680637_dpp4
Energy Plot
RMSD Scatter Plot