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

Docking Result

CHEMBL176944_dpp4

Atoms: 162
Models: 9
Best Energy: -6.412 kcal/mol

Binding Energies:
  • Pose 1: -6.412 kcal/mol
  • Pose 2: -6.292 kcal/mol
  • Pose 3: -6.209 kcal/mol
  • Pose 4: -6.193 kcal/mol
  • Pose 5: -6.18 kcal/mol
  • Pose 6: -6.114 kcal/mol
  • Pose 7: -6.08 kcal/mol
  • Pose 8: -6.035 kcal/mol
  • Pose 9: -6.033 kcal/mol
CHEMBL176944_dpp4
Energy Plot
RMSD Scatter Plot