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

Docking Result

CHEMBL208657_dpp4

Atoms: 216
Models: 9
Best Energy: -6.548 kcal/mol

Binding Energies:
  • Pose 1: -6.548 kcal/mol
  • Pose 2: -6.54 kcal/mol
  • Pose 3: -6.521 kcal/mol
  • Pose 4: -6.236 kcal/mol
  • Pose 5: -6.151 kcal/mol
  • Pose 6: -6.07 kcal/mol
  • Pose 7: -5.986 kcal/mol
  • Pose 8: -5.976 kcal/mol
  • Pose 9: -5.962 kcal/mol
CHEMBL208657_dpp4
Energy Plot
RMSD Scatter Plot