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

Docking Result

CHEMBL2086589_dpp4

Atoms: 234
Models: 9
Best Energy: -7.301 kcal/mol

Binding Energies:
  • Pose 1: -7.301 kcal/mol
  • Pose 2: -7.232 kcal/mol
  • Pose 3: -7.209 kcal/mol
  • Pose 4: -7.12 kcal/mol
  • Pose 5: -7.097 kcal/mol
  • Pose 6: -7.014 kcal/mol
  • Pose 7: -6.98 kcal/mol
  • Pose 8: -6.942 kcal/mol
  • Pose 9: -6.912 kcal/mol
CHEMBL2086589_dpp4
Energy Plot
RMSD Scatter Plot