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

Docking Result

CHEMBL171437_dpp4

Atoms: 279
Models: 9
Best Energy: -7.817 kcal/mol

Binding Energies:
  • Pose 1: -7.817 kcal/mol
  • Pose 2: -7.767 kcal/mol
  • Pose 3: -7.763 kcal/mol
  • Pose 4: -7.699 kcal/mol
  • Pose 5: -7.689 kcal/mol
  • Pose 6: -7.627 kcal/mol
  • Pose 7: -7.565 kcal/mol
  • Pose 8: -7.482 kcal/mol
  • Pose 9: -7.35 kcal/mol
CHEMBL171437_dpp4
Energy Plot
RMSD Scatter Plot