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

Docking Result

CHEMBL389906_dpp4

Atoms: 234
Models: 9
Best Energy: -7.146 kcal/mol

Binding Energies:
  • Pose 1: -7.146 kcal/mol
  • Pose 2: -7.138 kcal/mol
  • Pose 3: -7.059 kcal/mol
  • Pose 4: -6.744 kcal/mol
  • Pose 5: -6.632 kcal/mol
  • Pose 6: -6.631 kcal/mol
  • Pose 7: -6.582 kcal/mol
  • Pose 8: -6.502 kcal/mol
  • Pose 9: -6.483 kcal/mol
CHEMBL389906_dpp4
Energy Plot
RMSD Scatter Plot