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

Docking Result

CHEMBL250202_dpp4

Atoms: 288
Models: 9
Best Energy: -7.896 kcal/mol

Binding Energies:
  • Pose 1: -7.896 kcal/mol
  • Pose 2: -7.616 kcal/mol
  • Pose 3: -7.502 kcal/mol
  • Pose 4: -7.313 kcal/mol
  • Pose 5: -7.167 kcal/mol
  • Pose 6: -7.155 kcal/mol
  • Pose 7: -7.103 kcal/mol
  • Pose 8: -7.023 kcal/mol
  • Pose 9: -6.9 kcal/mol
CHEMBL250202_dpp4
Energy Plot
RMSD Scatter Plot