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

Docking Result

CHEMBL472097_dpp4

Atoms: 180
Models: 9
Best Energy: -6.27 kcal/mol

Binding Energies:
  • Pose 1: -6.27 kcal/mol
  • Pose 2: -6.149 kcal/mol
  • Pose 3: -6.141 kcal/mol
  • Pose 4: -6.114 kcal/mol
  • Pose 5: -6.108 kcal/mol
  • Pose 6: -6.09 kcal/mol
  • Pose 7: -6.042 kcal/mol
  • Pose 8: -5.978 kcal/mol
  • Pose 9: -5.92 kcal/mol
CHEMBL472097_dpp4
Energy Plot
RMSD Scatter Plot