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

Docking Result

CHEMBL322903_dpp4

Atoms: 216
Models: 9
Best Energy: -6.613 kcal/mol

Binding Energies:
  • Pose 1: -6.613 kcal/mol
  • Pose 2: -6.315 kcal/mol
  • Pose 3: -6.309 kcal/mol
  • Pose 4: -6.3 kcal/mol
  • Pose 5: -6.28 kcal/mol
  • Pose 6: -6.277 kcal/mol
  • Pose 7: -6.216 kcal/mol
  • Pose 8: -6.21 kcal/mol
  • Pose 9: -6.121 kcal/mol
CHEMBL322903_dpp4
Energy Plot
RMSD Scatter Plot