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

Docking Result

CHEMBL2011537_dpp4

Atoms: 261
Models: 9
Best Energy: -8.101 kcal/mol

Binding Energies:
  • Pose 1: -8.101 kcal/mol
  • Pose 2: -7.719 kcal/mol
  • Pose 3: -7.604 kcal/mol
  • Pose 4: -7.554 kcal/mol
  • Pose 5: -7.372 kcal/mol
  • Pose 6: -7.246 kcal/mol
  • Pose 7: -7.162 kcal/mol
  • Pose 8: -7.022 kcal/mol
  • Pose 9: -7.018 kcal/mol
CHEMBL2011537_dpp4
Energy Plot
RMSD Scatter Plot