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

Docking Result

CHEMBL3236103_dpp4

Atoms: 261
Models: 9
Best Energy: -7.817 kcal/mol

Binding Energies:
  • Pose 1: -7.817 kcal/mol
  • Pose 2: -7.561 kcal/mol
  • Pose 3: -7.541 kcal/mol
  • Pose 4: -7.446 kcal/mol
  • Pose 5: -7.3 kcal/mol
  • Pose 6: -7.191 kcal/mol
  • Pose 7: -7.161 kcal/mol
  • Pose 8: -7.112 kcal/mol
  • Pose 9: -6.994 kcal/mol
CHEMBL3236103_dpp4
Energy Plot
RMSD Scatter Plot