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

Docking Result

CHEMBL1084601_dpp4

Atoms: 234
Models: 9
Best Energy: -7.778 kcal/mol

Binding Energies:
  • Pose 1: -7.778 kcal/mol
  • Pose 2: -7.571 kcal/mol
  • Pose 3: -7.435 kcal/mol
  • Pose 4: -7.299 kcal/mol
  • Pose 5: -7.143 kcal/mol
  • Pose 6: -7.121 kcal/mol
  • Pose 7: -7.07 kcal/mol
  • Pose 8: -6.992 kcal/mol
  • Pose 9: -6.956 kcal/mol
CHEMBL1084601_dpp4
Energy Plot
RMSD Scatter Plot