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

Docking Result

CHEMBL2179408_dpp4

Atoms: 333
Models: 9
Best Energy: -8.128 kcal/mol

Binding Energies:
  • Pose 1: -8.128 kcal/mol
  • Pose 2: -8.074 kcal/mol
  • Pose 3: -7.965 kcal/mol
  • Pose 4: -7.805 kcal/mol
  • Pose 5: -7.668 kcal/mol
  • Pose 6: -7.612 kcal/mol
  • Pose 7: -7.542 kcal/mol
  • Pose 8: -7.188 kcal/mol
  • Pose 9: -7.074 kcal/mol
CHEMBL2179408_dpp4
Energy Plot
RMSD Scatter Plot