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

Docking Result

CHEMBL389848_dpp4

Atoms: 243
Models: 9
Best Energy: -7.324 kcal/mol

Binding Energies:
  • Pose 1: -7.324 kcal/mol
  • Pose 2: -7.194 kcal/mol
  • Pose 3: -7.084 kcal/mol
  • Pose 4: -7.031 kcal/mol
  • Pose 5: -6.857 kcal/mol
  • Pose 6: -6.724 kcal/mol
  • Pose 7: -6.671 kcal/mol
  • Pose 8: -6.599 kcal/mol
  • Pose 9: -6.556 kcal/mol
CHEMBL389848_dpp4
Energy Plot
RMSD Scatter Plot