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

Docking Result

CHEMBL5282739_dpp4

Atoms: 261
Models: 9
Best Energy: -7.922 kcal/mol

Binding Energies:
  • Pose 1: -7.922 kcal/mol
  • Pose 2: -7.883 kcal/mol
  • Pose 3: -7.847 kcal/mol
  • Pose 4: -7.774 kcal/mol
  • Pose 5: -7.762 kcal/mol
  • Pose 6: -7.643 kcal/mol
  • Pose 7: -7.597 kcal/mol
  • Pose 8: -7.522 kcal/mol
  • Pose 9: -7.482 kcal/mol
CHEMBL5282739_dpp4
Energy Plot
RMSD Scatter Plot