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

Docking Result

CHEMBL235352_dpp4

Atoms: 225
Models: 9
Best Energy: -7.073 kcal/mol

Binding Energies:
  • Pose 1: -7.073 kcal/mol
  • Pose 2: -7.035 kcal/mol
  • Pose 3: -6.805 kcal/mol
  • Pose 4: -6.729 kcal/mol
  • Pose 5: -6.725 kcal/mol
  • Pose 6: -6.724 kcal/mol
  • Pose 7: -6.719 kcal/mol
  • Pose 8: -6.665 kcal/mol
  • Pose 9: -6.526 kcal/mol
CHEMBL235352_dpp4
Energy Plot
RMSD Scatter Plot