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

Docking Result

CHEMBL394836_dpp4

Atoms: 270
Models: 9
Best Energy: -5.933 kcal/mol

Binding Energies:
  • Pose 1: -5.933 kcal/mol
  • Pose 2: -5.908 kcal/mol
  • Pose 3: -5.836 kcal/mol
  • Pose 4: -5.809 kcal/mol
  • Pose 5: -5.801 kcal/mol
  • Pose 6: -5.646 kcal/mol
  • Pose 7: -5.589 kcal/mol
  • Pose 8: -5.453 kcal/mol
  • Pose 9: -5.372 kcal/mol
CHEMBL394836_dpp4
Energy Plot
RMSD Scatter Plot