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

Docking Result

CHEMBL402573_dpp4

Atoms: 315
Models: 9
Best Energy: -7.85 kcal/mol

Binding Energies:
  • Pose 1: -7.85 kcal/mol
  • Pose 2: -7.602 kcal/mol
  • Pose 3: -7.391 kcal/mol
  • Pose 4: -7.246 kcal/mol
  • Pose 5: -7.183 kcal/mol
  • Pose 6: -7.176 kcal/mol
  • Pose 7: -7.121 kcal/mol
  • Pose 8: -7.112 kcal/mol
  • Pose 9: -7.094 kcal/mol
CHEMBL402573_dpp4
Energy Plot
RMSD Scatter Plot