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

Docking Result

CHEMBL6054858_dpp4

Atoms: 387
Models: 9
Best Energy: -9.873 kcal/mol

Binding Energies:
  • Pose 1: -9.873 kcal/mol
  • Pose 2: -9.848 kcal/mol
  • Pose 3: -9.657 kcal/mol
  • Pose 4: -9.621 kcal/mol
  • Pose 5: -9.476 kcal/mol
  • Pose 6: -9.369 kcal/mol
  • Pose 7: -9.263 kcal/mol
  • Pose 8: -9.193 kcal/mol
  • Pose 9: -9.042 kcal/mol
CHEMBL6054858_dpp4
Energy Plot
RMSD Scatter Plot