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

Docking Result

CHEMBL255554_dpp4

Atoms: 180
Models: 9
Best Energy: -7.103 kcal/mol

Binding Energies:
  • Pose 1: -7.103 kcal/mol
  • Pose 2: -6.489 kcal/mol
  • Pose 3: -6.396 kcal/mol
  • Pose 4: -6.344 kcal/mol
  • Pose 5: -6.233 kcal/mol
  • Pose 6: -6.214 kcal/mol
  • Pose 7: -6.159 kcal/mol
  • Pose 8: -6.053 kcal/mol
  • Pose 9: -5.965 kcal/mol
CHEMBL255554_dpp4
Energy Plot
RMSD Scatter Plot