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

Docking Result

CHEMBL4448038_dpp4

Atoms: 207
Models: 9
Best Energy: -6.28 kcal/mol

Binding Energies:
  • Pose 1: -6.28 kcal/mol
  • Pose 2: -6.109 kcal/mol
  • Pose 3: -6.106 kcal/mol
  • Pose 4: -6.04 kcal/mol
  • Pose 5: -5.963 kcal/mol
  • Pose 6: -5.659 kcal/mol
  • Pose 7: -5.432 kcal/mol
  • Pose 8: -5.391 kcal/mol
  • Pose 9: -5.306 kcal/mol
CHEMBL4448038_dpp4
Energy Plot
RMSD Scatter Plot