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

Docking Result

CHEMBL1085580_dpp4

Atoms: 216
Models: 9
Best Energy: -6.596 kcal/mol

Binding Energies:
  • Pose 1: -6.596 kcal/mol
  • Pose 2: -6.318 kcal/mol
  • Pose 3: -6.232 kcal/mol
  • Pose 4: -6.195 kcal/mol
  • Pose 5: -6.188 kcal/mol
  • Pose 6: -6.165 kcal/mol
  • Pose 7: -6.114 kcal/mol
  • Pose 8: -6.111 kcal/mol
  • Pose 9: -5.951 kcal/mol
CHEMBL1085580_dpp4
Energy Plot
RMSD Scatter Plot