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

Docking Result

CHEMBL2159189_dpp4

Atoms: 252
Models: 9
Best Energy: -7.784 kcal/mol

Binding Energies:
  • Pose 1: -7.784 kcal/mol
  • Pose 2: -7.673 kcal/mol
  • Pose 3: -7.447 kcal/mol
  • Pose 4: -7.352 kcal/mol
  • Pose 5: -7.331 kcal/mol
  • Pose 6: -7.153 kcal/mol
  • Pose 7: -7.139 kcal/mol
  • Pose 8: -7.116 kcal/mol
  • Pose 9: -6.873 kcal/mol
CHEMBL2159189_dpp4
Energy Plot
RMSD Scatter Plot