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

Docking Result

CHEMBL591291_dpp4

Atoms: 252
Models: 9
Best Energy: -7.63 kcal/mol

Binding Energies:
  • Pose 1: -7.63 kcal/mol
  • Pose 2: -7.41 kcal/mol
  • Pose 3: -7.201 kcal/mol
  • Pose 4: -6.951 kcal/mol
  • Pose 5: -6.898 kcal/mol
  • Pose 6: -6.863 kcal/mol
  • Pose 7: -6.822 kcal/mol
  • Pose 8: -6.726 kcal/mol
  • Pose 9: -6.691 kcal/mol
CHEMBL591291_dpp4
Energy Plot
RMSD Scatter Plot