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

Docking Result

CHEMBL4078112_dpp4

Atoms: 441
Models: 9
Best Energy: -8.984 kcal/mol

Binding Energies:
  • Pose 1: -8.984 kcal/mol
  • Pose 2: -8.872 kcal/mol
  • Pose 3: -8.581 kcal/mol
  • Pose 4: -8.519 kcal/mol
  • Pose 5: -8.469 kcal/mol
  • Pose 6: -8.434 kcal/mol
  • Pose 7: -8.359 kcal/mol
  • Pose 8: -8.277 kcal/mol
  • Pose 9: -8.241 kcal/mol
CHEMBL4078112_dpp4
Energy Plot
RMSD Scatter Plot