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

Docking Result

CHEMBL3233538_dpp4

Atoms: 243
Models: 9
Best Energy: -7.839 kcal/mol

Binding Energies:
  • Pose 1: -7.839 kcal/mol
  • Pose 2: -7.79 kcal/mol
  • Pose 3: -7.719 kcal/mol
  • Pose 4: -7.65 kcal/mol
  • Pose 5: -7.624 kcal/mol
  • Pose 6: -7.519 kcal/mol
  • Pose 7: -7.512 kcal/mol
  • Pose 8: -7.385 kcal/mol
  • Pose 9: -7.22 kcal/mol
CHEMBL3233538_dpp4
Energy Plot
RMSD Scatter Plot