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

Docking Result

CHEMBL605285_dpp4

Atoms: 243
Models: 9
Best Energy: -6.934 kcal/mol

Binding Energies:
  • Pose 1: -6.934 kcal/mol
  • Pose 2: -6.847 kcal/mol
  • Pose 3: -6.829 kcal/mol
  • Pose 4: -6.506 kcal/mol
  • Pose 5: -6.365 kcal/mol
  • Pose 6: -6.307 kcal/mol
  • Pose 7: -6.305 kcal/mol
  • Pose 8: -6.261 kcal/mol
  • Pose 9: -6.209 kcal/mol
CHEMBL605285_dpp4
Energy Plot
RMSD Scatter Plot