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

Docking Result

CHEMBL390776_dpp4

Atoms: 279
Models: 9
Best Energy: -8.304 kcal/mol

Binding Energies:
  • Pose 1: -8.304 kcal/mol
  • Pose 2: -8.255 kcal/mol
  • Pose 3: -7.8 kcal/mol
  • Pose 4: -7.747 kcal/mol
  • Pose 5: -7.678 kcal/mol
  • Pose 6: -7.621 kcal/mol
  • Pose 7: -7.611 kcal/mol
  • Pose 8: -7.502 kcal/mol
  • Pose 9: -7.283 kcal/mol
CHEMBL390776_dpp4
Energy Plot
RMSD Scatter Plot