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

Docking Result

CHEMBL4794198_dpp4

Atoms: 234
Models: 9
Best Energy: -8.124 kcal/mol

Binding Energies:
  • Pose 1: -8.124 kcal/mol
  • Pose 2: -8.095 kcal/mol
  • Pose 3: -7.724 kcal/mol
  • Pose 4: -7.665 kcal/mol
  • Pose 5: -7.586 kcal/mol
  • Pose 6: -7.542 kcal/mol
  • Pose 7: -7.514 kcal/mol
  • Pose 8: -7.415 kcal/mol
  • Pose 9: -7.32 kcal/mol
CHEMBL4794198_dpp4
Energy Plot
RMSD Scatter Plot