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

Docking Result

CHEMBL6167668_dpp4

Atoms: 270
Models: 9
Best Energy: -8.313 kcal/mol

Binding Energies:
  • Pose 1: -8.313 kcal/mol
  • Pose 2: -8.194 kcal/mol
  • Pose 3: -7.932 kcal/mol
  • Pose 4: -7.901 kcal/mol
  • Pose 5: -7.762 kcal/mol
  • Pose 6: -7.756 kcal/mol
  • Pose 7: -7.705 kcal/mol
  • Pose 8: -7.702 kcal/mol
  • Pose 9: -7.658 kcal/mol
CHEMBL6167668_dpp4
Energy Plot
RMSD Scatter Plot