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

Docking Result

CHEMBL184902_dpp4

Atoms: 270
Models: 9
Best Energy: -8.256 kcal/mol

Binding Energies:
  • Pose 1: -8.256 kcal/mol
  • Pose 2: -8.142 kcal/mol
  • Pose 3: -8.099 kcal/mol
  • Pose 4: -7.779 kcal/mol
  • Pose 5: -7.723 kcal/mol
  • Pose 6: -7.703 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.671 kcal/mol
  • Pose 9: -7.534 kcal/mol
CHEMBL184902_dpp4
Energy Plot
RMSD Scatter Plot