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

Docking Result

CHEMBL400068_dpp4

Atoms: 324
Models: 9
Best Energy: -8.133 kcal/mol

Binding Energies:
  • Pose 1: -8.133 kcal/mol
  • Pose 2: -8.081 kcal/mol
  • Pose 3: -7.836 kcal/mol
  • Pose 4: -7.764 kcal/mol
  • Pose 5: -7.746 kcal/mol
  • Pose 6: -7.73 kcal/mol
  • Pose 7: -7.474 kcal/mol
  • Pose 8: -7.412 kcal/mol
  • Pose 9: -7.359 kcal/mol
CHEMBL400068_dpp4
Energy Plot
RMSD Scatter Plot