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

Docking Result

CHEMBL1651764_dpp4

Atoms: 261
Models: 9
Best Energy: -7.732 kcal/mol

Binding Energies:
  • Pose 1: -7.732 kcal/mol
  • Pose 2: -7.657 kcal/mol
  • Pose 3: -7.351 kcal/mol
  • Pose 4: -7.311 kcal/mol
  • Pose 5: -7.211 kcal/mol
  • Pose 6: -7.179 kcal/mol
  • Pose 7: -7.114 kcal/mol
  • Pose 8: -6.887 kcal/mol
  • Pose 9: -6.879 kcal/mol
CHEMBL1651764_dpp4
Energy Plot
RMSD Scatter Plot