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

Docking Result

CHEMBL503809_dpp4

Atoms: 153
Models: 9
Best Energy: -5.56 kcal/mol

Binding Energies:
  • Pose 1: -5.56 kcal/mol
  • Pose 2: -5.472 kcal/mol
  • Pose 3: -5.398 kcal/mol
  • Pose 4: -5.32 kcal/mol
  • Pose 5: -5.267 kcal/mol
  • Pose 6: -5.259 kcal/mol
  • Pose 7: -5.171 kcal/mol
  • Pose 8: -5.114 kcal/mol
  • Pose 9: -5.04 kcal/mol
CHEMBL503809_dpp4
Energy Plot
RMSD Scatter Plot