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

Docking Result

CHEMBL6102893_dpp4

Atoms: 450
Models: 9
Best Energy: -7.62 kcal/mol

Binding Energies:
  • Pose 1: -7.62 kcal/mol
  • Pose 2: -7.452 kcal/mol
  • Pose 3: -7.2 kcal/mol
  • Pose 4: -7.107 kcal/mol
  • Pose 5: -7.094 kcal/mol
  • Pose 6: -7.033 kcal/mol
  • Pose 7: -6.978 kcal/mol
  • Pose 8: -6.599 kcal/mol
  • Pose 9: -6.48 kcal/mol
CHEMBL6102893_dpp4
Energy Plot
RMSD Scatter Plot