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

Docking Result

CHEMBL1812735_dpp4

Atoms: 234
Models: 9
Best Energy: -8.048 kcal/mol

Binding Energies:
  • Pose 1: -8.048 kcal/mol
  • Pose 2: -7.38 kcal/mol
  • Pose 3: -7.285 kcal/mol
  • Pose 4: -6.776 kcal/mol
  • Pose 5: -6.743 kcal/mol
  • Pose 6: -6.56 kcal/mol
  • Pose 7: -6.508 kcal/mol
  • Pose 8: -6.484 kcal/mol
  • Pose 9: -6.365 kcal/mol
CHEMBL1812735_dpp4
Energy Plot
RMSD Scatter Plot