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

Docking Result

CHEMBL2178962_dpp4

Atoms: 306
Models: 9
Best Energy: -9.234 kcal/mol

Binding Energies:
  • Pose 1: -9.234 kcal/mol
  • Pose 2: -8.934 kcal/mol
  • Pose 3: -8.844 kcal/mol
  • Pose 4: -8.761 kcal/mol
  • Pose 5: -8.483 kcal/mol
  • Pose 6: -8.444 kcal/mol
  • Pose 7: -8.368 kcal/mol
  • Pose 8: -8.301 kcal/mol
  • Pose 9: -8.077 kcal/mol
CHEMBL2178962_dpp4
Energy Plot
RMSD Scatter Plot