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

Docking Result

CHEMBL231996_dpp4

Atoms: 225
Models: 9
Best Energy: -7.23 kcal/mol

Binding Energies:
  • Pose 1: -7.23 kcal/mol
  • Pose 2: -7.159 kcal/mol
  • Pose 3: -6.599 kcal/mol
  • Pose 4: -6.313 kcal/mol
  • Pose 5: -6.288 kcal/mol
  • Pose 6: -6.287 kcal/mol
  • Pose 7: -6.284 kcal/mol
  • Pose 8: -6.197 kcal/mol
  • Pose 9: -6.192 kcal/mol
CHEMBL231996_dpp4
Energy Plot
RMSD Scatter Plot