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

Docking Result

CHEMBL4441220_dpp4

Atoms: 333
Models: 9
Best Energy: -8.279 kcal/mol

Binding Energies:
  • Pose 1: -8.279 kcal/mol
  • Pose 2: -8.245 kcal/mol
  • Pose 3: -8.055 kcal/mol
  • Pose 4: -7.851 kcal/mol
  • Pose 5: -7.823 kcal/mol
  • Pose 6: -7.595 kcal/mol
  • Pose 7: -7.516 kcal/mol
  • Pose 8: -7.412 kcal/mol
  • Pose 9: -7.364 kcal/mol
CHEMBL4441220_dpp4
Energy Plot
RMSD Scatter Plot