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

Docking Result

CHEMBL1650421_dpp4

Atoms: 270
Models: 9
Best Energy: -8.009 kcal/mol

Binding Energies:
  • Pose 1: -8.009 kcal/mol
  • Pose 2: -7.999 kcal/mol
  • Pose 3: -7.918 kcal/mol
  • Pose 4: -7.819 kcal/mol
  • Pose 5: -7.516 kcal/mol
  • Pose 6: -7.494 kcal/mol
  • Pose 7: -7.444 kcal/mol
  • Pose 8: -7.289 kcal/mol
  • Pose 9: -7.264 kcal/mol
CHEMBL1650421_dpp4
Energy Plot
RMSD Scatter Plot