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

Docking Result

CHEMBL4740030_dpp4

Atoms: 279
Models: 9
Best Energy: -8.444 kcal/mol

Binding Energies:
  • Pose 1: -8.444 kcal/mol
  • Pose 2: -8.411 kcal/mol
  • Pose 3: -8.331 kcal/mol
  • Pose 4: -8.227 kcal/mol
  • Pose 5: -8.197 kcal/mol
  • Pose 6: -8.17 kcal/mol
  • Pose 7: -7.812 kcal/mol
  • Pose 8: -7.768 kcal/mol
  • Pose 9: -7.3 kcal/mol
CHEMBL4740030_dpp4
Energy Plot
RMSD Scatter Plot