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

Docking Result

CHEMBL176138_dpp4

Atoms: 162
Models: 9
Best Energy: -6.336 kcal/mol

Binding Energies:
  • Pose 1: -6.336 kcal/mol
  • Pose 2: -6.248 kcal/mol
  • Pose 3: -6.233 kcal/mol
  • Pose 4: -6.198 kcal/mol
  • Pose 5: -6.172 kcal/mol
  • Pose 6: -6.163 kcal/mol
  • Pose 7: -6.109 kcal/mol
  • Pose 8: -6.096 kcal/mol
  • Pose 9: -6.039 kcal/mol
CHEMBL176138_dpp4
Energy Plot
RMSD Scatter Plot