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

Docking Result

CHEMBL169812_dpp4

Atoms: 270
Models: 9
Best Energy: -8.68 kcal/mol

Binding Energies:
  • Pose 1: -8.68 kcal/mol
  • Pose 2: -8.415 kcal/mol
  • Pose 3: -8.388 kcal/mol
  • Pose 4: -8.348 kcal/mol
  • Pose 5: -8.266 kcal/mol
  • Pose 6: -8.189 kcal/mol
  • Pose 7: -8.187 kcal/mol
  • Pose 8: -8.147 kcal/mol
  • Pose 9: -8.024 kcal/mol
CHEMBL169812_dpp4
Energy Plot
RMSD Scatter Plot