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

Docking Result

CHEMBL283880_dpp4

Atoms: 198
Models: 9
Best Energy: -7.107 kcal/mol

Binding Energies:
  • Pose 1: -7.107 kcal/mol
  • Pose 2: -6.937 kcal/mol
  • Pose 3: -6.907 kcal/mol
  • Pose 4: -6.76 kcal/mol
  • Pose 5: -6.749 kcal/mol
  • Pose 6: -6.743 kcal/mol
  • Pose 7: -6.571 kcal/mol
  • Pose 8: -6.479 kcal/mol
  • Pose 9: -6.199 kcal/mol
CHEMBL283880_dpp4
Energy Plot
RMSD Scatter Plot