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

Docking Result

CHEMBL4748328_dpp4

Atoms: 270
Models: 9
Best Energy: -7.705 kcal/mol

Binding Energies:
  • Pose 1: -7.705 kcal/mol
  • Pose 2: -7.569 kcal/mol
  • Pose 3: -7.512 kcal/mol
  • Pose 4: -7.481 kcal/mol
  • Pose 5: -7.462 kcal/mol
  • Pose 6: -7.42 kcal/mol
  • Pose 7: -7.374 kcal/mol
  • Pose 8: -7.328 kcal/mol
  • Pose 9: -7.195 kcal/mol
CHEMBL4748328_dpp4
Energy Plot
RMSD Scatter Plot