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

Docking Result

CHEMBL5630820_dpp4

Atoms: 315
Models: 9
Best Energy: -8.617 kcal/mol

Binding Energies:
  • Pose 1: -8.617 kcal/mol
  • Pose 2: -8.429 kcal/mol
  • Pose 3: -8.272 kcal/mol
  • Pose 4: -8.27 kcal/mol
  • Pose 5: -8.166 kcal/mol
  • Pose 6: -8.146 kcal/mol
  • Pose 7: -8.135 kcal/mol
  • Pose 8: -8.106 kcal/mol
  • Pose 9: -8.092 kcal/mol
CHEMBL5630820_dpp4
Energy Plot
RMSD Scatter Plot