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

Docking Result

CHEMBL2425061_dpp4

Atoms: 270
Models: 9
Best Energy: -8.216 kcal/mol

Binding Energies:
  • Pose 1: -8.216 kcal/mol
  • Pose 2: -8.212 kcal/mol
  • Pose 3: -7.805 kcal/mol
  • Pose 4: -7.736 kcal/mol
  • Pose 5: -7.699 kcal/mol
  • Pose 6: -7.657 kcal/mol
  • Pose 7: -7.641 kcal/mol
  • Pose 8: -7.556 kcal/mol
  • Pose 9: -7.519 kcal/mol
CHEMBL2425061_dpp4
Energy Plot
RMSD Scatter Plot