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

Docking Result

CHEMBL1683124_dpp4

Atoms: 252
Models: 9
Best Energy: -7.597 kcal/mol

Binding Energies:
  • Pose 1: -7.597 kcal/mol
  • Pose 2: -7.285 kcal/mol
  • Pose 3: -7.13 kcal/mol
  • Pose 4: -7.125 kcal/mol
  • Pose 5: -6.96 kcal/mol
  • Pose 6: -6.956 kcal/mol
  • Pose 7: -6.744 kcal/mol
  • Pose 8: -6.698 kcal/mol
  • Pose 9: -6.487 kcal/mol
CHEMBL1683124_dpp4
Energy Plot
RMSD Scatter Plot