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

Docking Result

CHEMBL235766_dpp4

Atoms: 441
Models: 9
Best Energy: -7.981 kcal/mol

Binding Energies:
  • Pose 1: -7.981 kcal/mol
  • Pose 2: -7.848 kcal/mol
  • Pose 3: -7.814 kcal/mol
  • Pose 4: -7.812 kcal/mol
  • Pose 5: -7.807 kcal/mol
  • Pose 6: -7.718 kcal/mol
  • Pose 7: -7.615 kcal/mol
  • Pose 8: -7.602 kcal/mol
  • Pose 9: -7.563 kcal/mol
CHEMBL235766_dpp4
Energy Plot
RMSD Scatter Plot