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

Docking Result

CHEMBL1812736_dpp4

Atoms: 234
Models: 9
Best Energy: -8.229 kcal/mol

Binding Energies:
  • Pose 1: -8.229 kcal/mol
  • Pose 2: -7.784 kcal/mol
  • Pose 3: -7.503 kcal/mol
  • Pose 4: -7.5 kcal/mol
  • Pose 5: -7.267 kcal/mol
  • Pose 6: -7.104 kcal/mol
  • Pose 7: -6.996 kcal/mol
  • Pose 8: -6.746 kcal/mol
  • Pose 9: -6.564 kcal/mol
CHEMBL1812736_dpp4
Energy Plot
RMSD Scatter Plot