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

Docking Result

CHEMBL1650423_dpp4

Atoms: 252
Models: 9
Best Energy: -7.775 kcal/mol

Binding Energies:
  • Pose 1: -7.775 kcal/mol
  • Pose 2: -7.707 kcal/mol
  • Pose 3: -7.611 kcal/mol
  • Pose 4: -7.499 kcal/mol
  • Pose 5: -7.387 kcal/mol
  • Pose 6: -7.285 kcal/mol
  • Pose 7: -7.188 kcal/mol
  • Pose 8: -6.987 kcal/mol
  • Pose 9: -6.903 kcal/mol
CHEMBL1650423_dpp4
Energy Plot
RMSD Scatter Plot