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

Docking Result

CHEMBL2021934_dpp4

Atoms: 189
Models: 9
Best Energy: -7.44 kcal/mol

Binding Energies:
  • Pose 1: -7.44 kcal/mol
  • Pose 2: -7.294 kcal/mol
  • Pose 3: -7.25 kcal/mol
  • Pose 4: -7.194 kcal/mol
  • Pose 5: -7.102 kcal/mol
  • Pose 6: -6.991 kcal/mol
  • Pose 7: -6.973 kcal/mol
  • Pose 8: -6.955 kcal/mol
  • Pose 9: -6.908 kcal/mol
CHEMBL2021934_dpp4
Energy Plot
RMSD Scatter Plot