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

Docking Result

CHEMBL4856255_dpp4

Atoms: 297
Models: 9
Best Energy: -7.731 kcal/mol

Binding Energies:
  • Pose 1: -7.731 kcal/mol
  • Pose 2: -7.227 kcal/mol
  • Pose 3: -7.223 kcal/mol
  • Pose 4: -7.173 kcal/mol
  • Pose 5: -7.154 kcal/mol
  • Pose 6: -6.971 kcal/mol
  • Pose 7: -6.92 kcal/mol
  • Pose 8: -6.869 kcal/mol
  • Pose 9: -6.653 kcal/mol
CHEMBL4856255_dpp4
Energy Plot
RMSD Scatter Plot