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

Docking Result

CHEMBL1650429_dpp4

Atoms: 297
Models: 9
Best Energy: -8.382 kcal/mol

Binding Energies:
  • Pose 1: -8.382 kcal/mol
  • Pose 2: -7.806 kcal/mol
  • Pose 3: -7.744 kcal/mol
  • Pose 4: -7.598 kcal/mol
  • Pose 5: -7.544 kcal/mol
  • Pose 6: -7.327 kcal/mol
  • Pose 7: -7.113 kcal/mol
  • Pose 8: -7.102 kcal/mol
  • Pose 9: -7.094 kcal/mol
CHEMBL1650429_dpp4
Energy Plot
RMSD Scatter Plot