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

Docking Result

CHEMBL1951424_dpp4

Atoms: 351
Models: 9
Best Energy: -9.426 kcal/mol

Binding Energies:
  • Pose 1: -9.426 kcal/mol
  • Pose 2: -9.215 kcal/mol
  • Pose 3: -8.771 kcal/mol
  • Pose 4: -8.731 kcal/mol
  • Pose 5: -8.696 kcal/mol
  • Pose 6: -8.593 kcal/mol
  • Pose 7: -8.516 kcal/mol
  • Pose 8: -8.515 kcal/mol
  • Pose 9: -8.412 kcal/mol
CHEMBL1951424_dpp4
Energy Plot
RMSD Scatter Plot