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

Docking Result

CHEMBL400624_dpp4

Atoms: 252
Models: 9
Best Energy: -8.284 kcal/mol

Binding Energies:
  • Pose 1: -8.284 kcal/mol
  • Pose 2: -7.453 kcal/mol
  • Pose 3: -7.162 kcal/mol
  • Pose 4: -7.099 kcal/mol
  • Pose 5: -6.955 kcal/mol
  • Pose 6: -6.824 kcal/mol
  • Pose 7: -6.68 kcal/mol
  • Pose 8: -6.639 kcal/mol
  • Pose 9: -6.572 kcal/mol
CHEMBL400624_dpp4
Energy Plot
RMSD Scatter Plot