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

Docking Result

CHEMBL243231_dpp4

Atoms: 252
Models: 9
Best Energy: -7.788 kcal/mol

Binding Energies:
  • Pose 1: -7.788 kcal/mol
  • Pose 2: -7.525 kcal/mol
  • Pose 3: -7.5 kcal/mol
  • Pose 4: -7.473 kcal/mol
  • Pose 5: -7.415 kcal/mol
  • Pose 6: -7.18 kcal/mol
  • Pose 7: -7.174 kcal/mol
  • Pose 8: -7.162 kcal/mol
  • Pose 9: -7.154 kcal/mol
CHEMBL243231_dpp4
Energy Plot
RMSD Scatter Plot