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

Docking Result

CHEMBL4246222_dpp4

Atoms: 234
Models: 9
Best Energy: -7.567 kcal/mol

Binding Energies:
  • Pose 1: -7.567 kcal/mol
  • Pose 2: -6.977 kcal/mol
  • Pose 3: -6.656 kcal/mol
  • Pose 4: -6.59 kcal/mol
  • Pose 5: -6.563 kcal/mol
  • Pose 6: -6.522 kcal/mol
  • Pose 7: -6.483 kcal/mol
  • Pose 8: -6.326 kcal/mol
  • Pose 9: -6.132 kcal/mol
CHEMBL4246222_dpp4
Energy Plot
RMSD Scatter Plot