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

Docking Result

CHEMBL208288_dpp4

Atoms: 171
Models: 9
Best Energy: -6.058 kcal/mol

Binding Energies:
  • Pose 1: -6.058 kcal/mol
  • Pose 2: -5.968 kcal/mol
  • Pose 3: -5.964 kcal/mol
  • Pose 4: -5.957 kcal/mol
  • Pose 5: -5.779 kcal/mol
  • Pose 6: -5.659 kcal/mol
  • Pose 7: -5.462 kcal/mol
  • Pose 8: -5.456 kcal/mol
  • Pose 9: -5.445 kcal/mol
CHEMBL208288_dpp4
Energy Plot
RMSD Scatter Plot