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

Docking Result

CHEMBL6091758_dpp4

Atoms: 261
Models: 9
Best Energy: -8.98 kcal/mol

Binding Energies:
  • Pose 1: -8.98 kcal/mol
  • Pose 2: -8.799 kcal/mol
  • Pose 3: -8.473 kcal/mol
  • Pose 4: -8.409 kcal/mol
  • Pose 5: -8.382 kcal/mol
  • Pose 6: -8.335 kcal/mol
  • Pose 7: -8.334 kcal/mol
  • Pose 8: -8.268 kcal/mol
  • Pose 9: -8.195 kcal/mol
CHEMBL6091758_dpp4
Energy Plot
RMSD Scatter Plot