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

Docking Result

CHEMBL1819090_dpp4

Atoms: 297
Models: 9
Best Energy: -7.92 kcal/mol

Binding Energies:
  • Pose 1: -7.92 kcal/mol
  • Pose 2: -7.869 kcal/mol
  • Pose 3: -7.735 kcal/mol
  • Pose 4: -7.694 kcal/mol
  • Pose 5: -7.682 kcal/mol
  • Pose 6: -7.636 kcal/mol
  • Pose 7: -7.596 kcal/mol
  • Pose 8: -7.587 kcal/mol
  • Pose 9: -7.549 kcal/mol
CHEMBL1819090_dpp4
Energy Plot
RMSD Scatter Plot