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

Docking Result

CHEMBL239984_dpp4

Atoms: 234
Models: 9
Best Energy: -7.178 kcal/mol

Binding Energies:
  • Pose 1: -7.178 kcal/mol
  • Pose 2: -7.095 kcal/mol
  • Pose 3: -6.996 kcal/mol
  • Pose 4: -6.768 kcal/mol
  • Pose 5: -6.686 kcal/mol
  • Pose 6: -6.622 kcal/mol
  • Pose 7: -6.445 kcal/mol
  • Pose 8: -6.393 kcal/mol
  • Pose 9: -6.187 kcal/mol
CHEMBL239984_dpp4
Energy Plot
RMSD Scatter Plot