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

Docking Result

CHEMBL5435542_dpp4

Atoms: 333
Models: 9
Best Energy: -9.635 kcal/mol

Binding Energies:
  • Pose 1: -9.635 kcal/mol
  • Pose 2: -9.587 kcal/mol
  • Pose 3: -9.584 kcal/mol
  • Pose 4: -9.143 kcal/mol
  • Pose 5: -9.111 kcal/mol
  • Pose 6: -8.739 kcal/mol
  • Pose 7: -8.734 kcal/mol
  • Pose 8: -8.671 kcal/mol
  • Pose 9: -8.53 kcal/mol
CHEMBL5435542_dpp4
Energy Plot
RMSD Scatter Plot