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

Docking Result

CHEMBL1650425_dpp4

Atoms: 279
Models: 9
Best Energy: -8.287 kcal/mol

Binding Energies:
  • Pose 1: -8.287 kcal/mol
  • Pose 2: -7.492 kcal/mol
  • Pose 3: -7.294 kcal/mol
  • Pose 4: -7.284 kcal/mol
  • Pose 5: -7.189 kcal/mol
  • Pose 6: -7.071 kcal/mol
  • Pose 7: -7 kcal/mol
  • Pose 8: -6.891 kcal/mol
  • Pose 9: -6.851 kcal/mol
CHEMBL1650425_dpp4
Energy Plot
RMSD Scatter Plot