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

Docking Result

CHEMBL1683132_dpp4

Atoms: 200
Models: 8
Best Energy: -8.295 kcal/mol

Binding Energies:
  • Pose 1: -8.295 kcal/mol
  • Pose 2: -8.163 kcal/mol
  • Pose 3: -7.709 kcal/mol
  • Pose 4: -7.489 kcal/mol
  • Pose 5: -7.318 kcal/mol
  • Pose 6: -7.149 kcal/mol
  • Pose 7: -7.055 kcal/mol
  • Pose 8: -7.008 kcal/mol
CHEMBL1683132_dpp4
Energy Plot
RMSD Scatter Plot