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

Docking Result

CHEMBL430661_dpp4

Atoms: 225
Models: 9
Best Energy: -6.605 kcal/mol

Binding Energies:
  • Pose 1: -6.605 kcal/mol
  • Pose 2: -6.556 kcal/mol
  • Pose 3: -6.516 kcal/mol
  • Pose 4: -6.417 kcal/mol
  • Pose 5: -6.412 kcal/mol
  • Pose 6: -6.367 kcal/mol
  • Pose 7: -6.274 kcal/mol
  • Pose 8: -6.263 kcal/mol
  • Pose 9: -6.237 kcal/mol
CHEMBL430661_dpp4
Energy Plot
RMSD Scatter Plot