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

Docking Result

CHEMBL564488_dpp4

Atoms: 279
Models: 9
Best Energy: -8.254 kcal/mol

Binding Energies:
  • Pose 1: -8.254 kcal/mol
  • Pose 2: -7.752 kcal/mol
  • Pose 3: -7.683 kcal/mol
  • Pose 4: -7.613 kcal/mol
  • Pose 5: -7.465 kcal/mol
  • Pose 6: -7.372 kcal/mol
  • Pose 7: -7.321 kcal/mol
  • Pose 8: -7.258 kcal/mol
  • Pose 9: -7.059 kcal/mol
CHEMBL564488_dpp4
Energy Plot
RMSD Scatter Plot