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

Docking Result

CHEMBL5980162_dpp4

Atoms: 171
Models: 9
Best Energy: -6.176 kcal/mol

Binding Energies:
  • Pose 1: -6.176 kcal/mol
  • Pose 2: -6.159 kcal/mol
  • Pose 3: -5.534 kcal/mol
  • Pose 4: -5.479 kcal/mol
  • Pose 5: -5.414 kcal/mol
  • Pose 6: -5.392 kcal/mol
  • Pose 7: -5.346 kcal/mol
  • Pose 8: -5.249 kcal/mol
  • Pose 9: -5.188 kcal/mol
CHEMBL5980162_dpp4
Energy Plot
RMSD Scatter Plot