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

Docking Result

CHEMBL1951608_dpp4

Atoms: 360
Models: 9
Best Energy: -7.163 kcal/mol

Binding Energies:
  • Pose 1: -7.163 kcal/mol
  • Pose 2: -7.056 kcal/mol
  • Pose 3: -7.014 kcal/mol
  • Pose 4: -6.607 kcal/mol
  • Pose 5: -6.572 kcal/mol
  • Pose 6: -6.56 kcal/mol
  • Pose 7: -6.49 kcal/mol
  • Pose 8: -6.386 kcal/mol
  • Pose 9: -6.231 kcal/mol
CHEMBL1951608_dpp4
Energy Plot
RMSD Scatter Plot