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

Docking Result

CHEMBL1431_dpp4

Atoms: 126
Models: 9
Best Energy: -4.899 kcal/mol

Binding Energies:
  • Pose 1: -4.899 kcal/mol
  • Pose 2: -4.647 kcal/mol
  • Pose 3: -4.643 kcal/mol
  • Pose 4: -4.607 kcal/mol
  • Pose 5: -4.535 kcal/mol
  • Pose 6: -4.443 kcal/mol
  • Pose 7: -4.431 kcal/mol
  • Pose 8: -4.382 kcal/mol
  • Pose 9: -4.377 kcal/mol
CHEMBL1431_dpp4
Energy Plot
RMSD Scatter Plot