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

Docking Result

CHEMBL4079304_dpp4

Atoms: 234
Models: 9
Best Energy: -8.188 kcal/mol

Binding Energies:
  • Pose 1: -8.188 kcal/mol
  • Pose 2: -7.82 kcal/mol
  • Pose 3: -7.657 kcal/mol
  • Pose 4: -7.378 kcal/mol
  • Pose 5: -7.237 kcal/mol
  • Pose 6: -7.096 kcal/mol
  • Pose 7: -6.92 kcal/mol
  • Pose 8: -6.85 kcal/mol
  • Pose 9: -6.541 kcal/mol
CHEMBL4079304_dpp4
Energy Plot
RMSD Scatter Plot