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

Docking Result

CHEMBL4165967_dpp4

Atoms: 315
Models: 9
Best Energy: -8.279 kcal/mol

Binding Energies:
  • Pose 1: -8.279 kcal/mol
  • Pose 2: -8.099 kcal/mol
  • Pose 3: -7.819 kcal/mol
  • Pose 4: -7.716 kcal/mol
  • Pose 5: -7.584 kcal/mol
  • Pose 6: -7.449 kcal/mol
  • Pose 7: -7.332 kcal/mol
  • Pose 8: -7.182 kcal/mol
  • Pose 9: -7.13 kcal/mol
CHEMBL4165967_dpp4
Energy Plot
RMSD Scatter Plot