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

Docking Result

CHEMBL3616912_dpp4

Atoms: 279
Models: 9
Best Energy: -7.763 kcal/mol

Binding Energies:
  • Pose 1: -7.763 kcal/mol
  • Pose 2: -7.241 kcal/mol
  • Pose 3: -7.196 kcal/mol
  • Pose 4: -7.154 kcal/mol
  • Pose 5: -7.117 kcal/mol
  • Pose 6: -7.018 kcal/mol
  • Pose 7: -6.999 kcal/mol
  • Pose 8: -6.972 kcal/mol
  • Pose 9: -6.911 kcal/mol
CHEMBL3616912_dpp4
Energy Plot
RMSD Scatter Plot