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

Docking Result

CHEMBL4635433_dpp4

Atoms: 252
Models: 9
Best Energy: -8.333 kcal/mol

Binding Energies:
  • Pose 1: -8.333 kcal/mol
  • Pose 2: -8.261 kcal/mol
  • Pose 3: -7.757 kcal/mol
  • Pose 4: -7.442 kcal/mol
  • Pose 5: -7.37 kcal/mol
  • Pose 6: -7.32 kcal/mol
  • Pose 7: -7.161 kcal/mol
  • Pose 8: -7.034 kcal/mol
  • Pose 9: -6.925 kcal/mol
CHEMBL4635433_dpp4
Energy Plot
RMSD Scatter Plot