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

Docking Result

CHEMBL554090_dpp4

Atoms: 225
Models: 9
Best Energy: -7.053 kcal/mol

Binding Energies:
  • Pose 1: -7.053 kcal/mol
  • Pose 2: -6.928 kcal/mol
  • Pose 3: -6.913 kcal/mol
  • Pose 4: -6.811 kcal/mol
  • Pose 5: -6.555 kcal/mol
  • Pose 6: -6.457 kcal/mol
  • Pose 7: -6.425 kcal/mol
  • Pose 8: -6.388 kcal/mol
  • Pose 9: -6.259 kcal/mol
CHEMBL554090_dpp4
Energy Plot
RMSD Scatter Plot