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

Docking Result

CHEMBL6190034_dpp4

Atoms: 234
Models: 9
Best Energy: -8.222 kcal/mol

Binding Energies:
  • Pose 1: -8.222 kcal/mol
  • Pose 2: -8.117 kcal/mol
  • Pose 3: -7.998 kcal/mol
  • Pose 4: -7.936 kcal/mol
  • Pose 5: -7.883 kcal/mol
  • Pose 6: -7.695 kcal/mol
  • Pose 7: -7.654 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.403 kcal/mol
CHEMBL6190034_dpp4
Energy Plot
RMSD Scatter Plot