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

Docking Result

CHEMBL34972_dpp4

Atoms: 252
Models: 9
Best Energy: -7.832 kcal/mol

Binding Energies:
  • Pose 1: -7.832 kcal/mol
  • Pose 2: -7.332 kcal/mol
  • Pose 3: -7.207 kcal/mol
  • Pose 4: -6.989 kcal/mol
  • Pose 5: -6.974 kcal/mol
  • Pose 6: -6.931 kcal/mol
  • Pose 7: -6.87 kcal/mol
  • Pose 8: -6.723 kcal/mol
  • Pose 9: -6.7 kcal/mol
CHEMBL34972_dpp4
Energy Plot
RMSD Scatter Plot