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

Docking Result

CHEMBL402111_dpp4

Atoms: 306
Models: 9
Best Energy: -7.433 kcal/mol

Binding Energies:
  • Pose 1: -7.433 kcal/mol
  • Pose 2: -7.302 kcal/mol
  • Pose 3: -7.116 kcal/mol
  • Pose 4: -7.11 kcal/mol
  • Pose 5: -7.057 kcal/mol
  • Pose 6: -7.045 kcal/mol
  • Pose 7: -7.027 kcal/mol
  • Pose 8: -7.009 kcal/mol
  • Pose 9: -6.971 kcal/mol
CHEMBL402111_dpp4
Energy Plot
RMSD Scatter Plot