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

Docking Result

CHEMBL411561_dpp4

Atoms: 207
Models: 9
Best Energy: -6.401 kcal/mol

Binding Energies:
  • Pose 1: -6.401 kcal/mol
  • Pose 2: -6.321 kcal/mol
  • Pose 3: -6.263 kcal/mol
  • Pose 4: -6.145 kcal/mol
  • Pose 5: -5.962 kcal/mol
  • Pose 6: -5.94 kcal/mol
  • Pose 7: -5.931 kcal/mol
  • Pose 8: -5.714 kcal/mol
  • Pose 9: -5.689 kcal/mol
CHEMBL411561_dpp4
Energy Plot
RMSD Scatter Plot