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

Docking Result

CHEMBL2058762_dpp4

Atoms: 279
Models: 9
Best Energy: -8.373 kcal/mol

Binding Energies:
  • Pose 1: -8.373 kcal/mol
  • Pose 2: -8.124 kcal/mol
  • Pose 3: -7.908 kcal/mol
  • Pose 4: -7.85 kcal/mol
  • Pose 5: -7.849 kcal/mol
  • Pose 6: -7.571 kcal/mol
  • Pose 7: -7.292 kcal/mol
  • Pose 8: -7.288 kcal/mol
  • Pose 9: -7.253 kcal/mol
CHEMBL2058762_dpp4
Energy Plot
RMSD Scatter Plot