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

Docking Result

CHEMBL2024672_dpp4

Atoms: 180
Models: 9
Best Energy: -7.241 kcal/mol

Binding Energies:
  • Pose 1: -7.241 kcal/mol
  • Pose 2: -7.19 kcal/mol
  • Pose 3: -7.181 kcal/mol
  • Pose 4: -7.167 kcal/mol
  • Pose 5: -6.93 kcal/mol
  • Pose 6: -6.865 kcal/mol
  • Pose 7: -6.769 kcal/mol
  • Pose 8: -6.694 kcal/mol
  • Pose 9: -6.657 kcal/mol
CHEMBL2024672_dpp4
Energy Plot
RMSD Scatter Plot