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

Docking Result

CHEMBL6142483_dpp4

Atoms: 351
Models: 9
Best Energy: -10.42 kcal/mol

Binding Energies:
  • Pose 1: -10.42 kcal/mol
  • Pose 2: -9.82 kcal/mol
  • Pose 3: -9.735 kcal/mol
  • Pose 4: -9.693 kcal/mol
  • Pose 5: -9.547 kcal/mol
  • Pose 6: -9.417 kcal/mol
  • Pose 7: -9.293 kcal/mol
  • Pose 8: -9.255 kcal/mol
  • Pose 9: -9.143 kcal/mol
CHEMBL6142483_dpp4
Energy Plot
RMSD Scatter Plot