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

Docking Result

CHEMBL2159183_dpp4

Atoms: 261
Models: 9
Best Energy: -7.851 kcal/mol

Binding Energies:
  • Pose 1: -7.851 kcal/mol
  • Pose 2: -7.622 kcal/mol
  • Pose 3: -7.31 kcal/mol
  • Pose 4: -7.238 kcal/mol
  • Pose 5: -7.097 kcal/mol
  • Pose 6: -6.978 kcal/mol
  • Pose 7: -6.941 kcal/mol
  • Pose 8: -6.873 kcal/mol
  • Pose 9: -6.629 kcal/mol
CHEMBL2159183_dpp4
Energy Plot
RMSD Scatter Plot