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

Docking Result

CHEMBL3958450_dpp4

Atoms: 306
Models: 9
Best Energy: -8.822 kcal/mol

Binding Energies:
  • Pose 1: -8.822 kcal/mol
  • Pose 2: -8.645 kcal/mol
  • Pose 3: -8.508 kcal/mol
  • Pose 4: -8.292 kcal/mol
  • Pose 5: -8.268 kcal/mol
  • Pose 6: -8.148 kcal/mol
  • Pose 7: -8.015 kcal/mol
  • Pose 8: -7.962 kcal/mol
  • Pose 9: -7.801 kcal/mol
CHEMBL3958450_dpp4
Energy Plot
RMSD Scatter Plot