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

Docking Result

CHEMBL590812_dpp4

Atoms: 252
Models: 9
Best Energy: -7.555 kcal/mol

Binding Energies:
  • Pose 1: -7.555 kcal/mol
  • Pose 2: -7.172 kcal/mol
  • Pose 3: -6.971 kcal/mol
  • Pose 4: -6.967 kcal/mol
  • Pose 5: -6.916 kcal/mol
  • Pose 6: -6.908 kcal/mol
  • Pose 7: -6.86 kcal/mol
  • Pose 8: -6.854 kcal/mol
  • Pose 9: -6.755 kcal/mol
CHEMBL590812_dpp4
Energy Plot
RMSD Scatter Plot