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

Docking Result

CHEMBL4554062_dpp4

Atoms: 171
Models: 9
Best Energy: -6.742 kcal/mol

Binding Energies:
  • Pose 1: -6.742 kcal/mol
  • Pose 2: -6.419 kcal/mol
  • Pose 3: -6.255 kcal/mol
  • Pose 4: -6.242 kcal/mol
  • Pose 5: -5.86 kcal/mol
  • Pose 6: -5.764 kcal/mol
  • Pose 7: -5.695 kcal/mol
  • Pose 8: -5.615 kcal/mol
  • Pose 9: -5.505 kcal/mol
CHEMBL4554062_dpp4
Energy Plot
RMSD Scatter Plot