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

Docking Result

CHEMBL400613_dpp4

Atoms: 207
Models: 9
Best Energy: -7.54 kcal/mol

Binding Energies:
  • Pose 1: -7.54 kcal/mol
  • Pose 2: -7.426 kcal/mol
  • Pose 3: -7.233 kcal/mol
  • Pose 4: -7.111 kcal/mol
  • Pose 5: -7.095 kcal/mol
  • Pose 6: -7.045 kcal/mol
  • Pose 7: -6.994 kcal/mol
  • Pose 8: -6.866 kcal/mol
  • Pose 9: -6.836 kcal/mol
CHEMBL400613_dpp4
Energy Plot
RMSD Scatter Plot