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

Docking Result

CHEMBL2069836_dpp4

Atoms: 306
Models: 9
Best Energy: -8.242 kcal/mol

Binding Energies:
  • Pose 1: -8.242 kcal/mol
  • Pose 2: -8.199 kcal/mol
  • Pose 3: -7.855 kcal/mol
  • Pose 4: -7.686 kcal/mol
  • Pose 5: -7.612 kcal/mol
  • Pose 6: -7.561 kcal/mol
  • Pose 7: -7.553 kcal/mol
  • Pose 8: -7.52 kcal/mol
  • Pose 9: -7.469 kcal/mol
CHEMBL2069836_dpp4
Energy Plot
RMSD Scatter Plot