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

Docking Result

CHEMBL1688522_dpp4

Atoms: 279
Models: 9
Best Energy: -7.58 kcal/mol

Binding Energies:
  • Pose 1: -7.58 kcal/mol
  • Pose 2: -7.413 kcal/mol
  • Pose 3: -7.394 kcal/mol
  • Pose 4: -7.367 kcal/mol
  • Pose 5: -7.295 kcal/mol
  • Pose 6: -7.076 kcal/mol
  • Pose 7: -7.035 kcal/mol
  • Pose 8: -6.684 kcal/mol
  • Pose 9: -6.583 kcal/mol
CHEMBL1688522_dpp4
Energy Plot
RMSD Scatter Plot