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

Docking Result

CHEMBL469878_dpp4

Atoms: 180
Models: 9
Best Energy: -6.551 kcal/mol

Binding Energies:
  • Pose 1: -6.551 kcal/mol
  • Pose 2: -6.485 kcal/mol
  • Pose 3: -6.466 kcal/mol
  • Pose 4: -6.443 kcal/mol
  • Pose 5: -6.351 kcal/mol
  • Pose 6: -6.345 kcal/mol
  • Pose 7: -6.206 kcal/mol
  • Pose 8: -6.171 kcal/mol
  • Pose 9: -6.151 kcal/mol
CHEMBL469878_dpp4
Energy Plot
RMSD Scatter Plot