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

Docking Result

CHEMBL5925489_dpp4

Atoms: 189
Models: 9
Best Energy: -7.605 kcal/mol

Binding Energies:
  • Pose 1: -7.605 kcal/mol
  • Pose 2: -7.374 kcal/mol
  • Pose 3: -7.172 kcal/mol
  • Pose 4: -7.043 kcal/mol
  • Pose 5: -7.006 kcal/mol
  • Pose 6: -6.968 kcal/mol
  • Pose 7: -6.879 kcal/mol
  • Pose 8: -6.822 kcal/mol
  • Pose 9: -6.712 kcal/mol
CHEMBL5925489_dpp4
Energy Plot
RMSD Scatter Plot