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

Docking Result

CHEMBL3330070_dpp4

Atoms: 234
Models: 9
Best Energy: -7.918 kcal/mol

Binding Energies:
  • Pose 1: -7.918 kcal/mol
  • Pose 2: -7.877 kcal/mol
  • Pose 3: -7.869 kcal/mol
  • Pose 4: -7.637 kcal/mol
  • Pose 5: -7.606 kcal/mol
  • Pose 6: -7.563 kcal/mol
  • Pose 7: -7.56 kcal/mol
  • Pose 8: -7.537 kcal/mol
  • Pose 9: -7.492 kcal/mol
CHEMBL3330070_dpp4
Energy Plot
RMSD Scatter Plot