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

Docking Result

CHEMBL3084938_dpp4

Atoms: 315
Models: 9
Best Energy: -8.187 kcal/mol

Binding Energies:
  • Pose 1: -8.187 kcal/mol
  • Pose 2: -8.117 kcal/mol
  • Pose 3: -7.928 kcal/mol
  • Pose 4: -7.788 kcal/mol
  • Pose 5: -7.719 kcal/mol
  • Pose 6: -7.657 kcal/mol
  • Pose 7: -7.569 kcal/mol
  • Pose 8: -7.425 kcal/mol
  • Pose 9: -7.374 kcal/mol
CHEMBL3084938_dpp4
Energy Plot
RMSD Scatter Plot