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

Docking Result

CHEMBL1683572_dpp4

Atoms: 279
Models: 9
Best Energy: -9.166 kcal/mol

Binding Energies:
  • Pose 1: -9.166 kcal/mol
  • Pose 2: -8.364 kcal/mol
  • Pose 3: -8.323 kcal/mol
  • Pose 4: -8.316 kcal/mol
  • Pose 5: -8.093 kcal/mol
  • Pose 6: -8.006 kcal/mol
  • Pose 7: -7.834 kcal/mol
  • Pose 8: -7.568 kcal/mol
  • Pose 9: -7.508 kcal/mol
CHEMBL1683572_dpp4
Energy Plot
RMSD Scatter Plot