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

Docking Result

CHEMBL4859756_dpp4

Atoms: 333
Models: 9
Best Energy: -8.338 kcal/mol

Binding Energies:
  • Pose 1: -8.338 kcal/mol
  • Pose 2: -8.199 kcal/mol
  • Pose 3: -8.098 kcal/mol
  • Pose 4: -7.984 kcal/mol
  • Pose 5: -7.984 kcal/mol
  • Pose 6: -7.936 kcal/mol
  • Pose 7: -7.869 kcal/mol
  • Pose 8: -7.709 kcal/mol
  • Pose 9: -7.519 kcal/mol
CHEMBL4859756_dpp4
Energy Plot
RMSD Scatter Plot