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

Docking Result

CHEMBL237287_dpp4

Atoms: 306
Models: 9
Best Energy: -8.015 kcal/mol

Binding Energies:
  • Pose 1: -8.015 kcal/mol
  • Pose 2: -8.009 kcal/mol
  • Pose 3: -7.768 kcal/mol
  • Pose 4: -7.555 kcal/mol
  • Pose 5: -7.349 kcal/mol
  • Pose 6: -7.319 kcal/mol
  • Pose 7: -7.223 kcal/mol
  • Pose 8: -7.192 kcal/mol
  • Pose 9: -7.113 kcal/mol
CHEMBL237287_dpp4
Energy Plot
RMSD Scatter Plot