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

Docking Result

CHEMBL1951437_dpp4

Atoms: 342
Models: 9
Best Energy: -7.251 kcal/mol

Binding Energies:
  • Pose 1: -7.251 kcal/mol
  • Pose 2: -6.893 kcal/mol
  • Pose 3: -6.787 kcal/mol
  • Pose 4: -6.753 kcal/mol
  • Pose 5: -6.658 kcal/mol
  • Pose 6: -6.634 kcal/mol
  • Pose 7: -6.601 kcal/mol
  • Pose 8: -6.426 kcal/mol
  • Pose 9: -6.364 kcal/mol
CHEMBL1951437_dpp4
Energy Plot
RMSD Scatter Plot