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

Docking Result

CHEMBL550114_dpp4

Atoms: 288
Models: 9
Best Energy: -7.979 kcal/mol

Binding Energies:
  • Pose 1: -7.979 kcal/mol
  • Pose 2: -7.89 kcal/mol
  • Pose 3: -7.793 kcal/mol
  • Pose 4: -7.766 kcal/mol
  • Pose 5: -7.689 kcal/mol
  • Pose 6: -7.5 kcal/mol
  • Pose 7: -7.388 kcal/mol
  • Pose 8: -7.385 kcal/mol
  • Pose 9: -7.384 kcal/mol
CHEMBL550114_dpp4
Energy Plot
RMSD Scatter Plot