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

Docking Result

CHEMBL4787437_dpp4

Atoms: 252
Models: 9
Best Energy: -8.495 kcal/mol

Binding Energies:
  • Pose 1: -8.495 kcal/mol
  • Pose 2: -8.431 kcal/mol
  • Pose 3: -8.384 kcal/mol
  • Pose 4: -8.28 kcal/mol
  • Pose 5: -8.121 kcal/mol
  • Pose 6: -8.099 kcal/mol
  • Pose 7: -7.939 kcal/mol
  • Pose 8: -7.809 kcal/mol
  • Pose 9: -7.638 kcal/mol
CHEMBL4787437_dpp4
Energy Plot
RMSD Scatter Plot