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

Docking Result

CHEMBL2069844_dpp4

Atoms: 315
Models: 9
Best Energy: -8.765 kcal/mol

Binding Energies:
  • Pose 1: -8.765 kcal/mol
  • Pose 2: -8.613 kcal/mol
  • Pose 3: -8.448 kcal/mol
  • Pose 4: -8.396 kcal/mol
  • Pose 5: -8.284 kcal/mol
  • Pose 6: -8.273 kcal/mol
  • Pose 7: -8.238 kcal/mol
  • Pose 8: -8.197 kcal/mol
  • Pose 9: -8.175 kcal/mol
CHEMBL2069844_dpp4
Energy Plot
RMSD Scatter Plot