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

Docking Result

CHEMBL6171671_dpp4

Atoms: 225
Models: 9
Best Energy: -7.654 kcal/mol

Binding Energies:
  • Pose 1: -7.654 kcal/mol
  • Pose 2: -7.641 kcal/mol
  • Pose 3: -7.198 kcal/mol
  • Pose 4: -6.965 kcal/mol
  • Pose 5: -6.95 kcal/mol
  • Pose 6: -6.858 kcal/mol
  • Pose 7: -6.803 kcal/mol
  • Pose 8: -6.414 kcal/mol
  • Pose 9: -6.365 kcal/mol
CHEMBL6171671_dpp4
Energy Plot
RMSD Scatter Plot