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

Docking Result

CHEMBL511346_dpp4

Atoms: 180
Models: 9
Best Energy: -6.633 kcal/mol

Binding Energies:
  • Pose 1: -6.633 kcal/mol
  • Pose 2: -6.338 kcal/mol
  • Pose 3: -6.142 kcal/mol
  • Pose 4: -6.134 kcal/mol
  • Pose 5: -6.112 kcal/mol
  • Pose 6: -5.997 kcal/mol
  • Pose 7: -5.949 kcal/mol
  • Pose 8: -5.936 kcal/mol
  • Pose 9: -5.705 kcal/mol
CHEMBL511346_dpp4
Energy Plot
RMSD Scatter Plot