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

Docking Result

CHEMBL3084936_dpp4

Atoms: 270
Models: 9
Best Energy: -7.415 kcal/mol

Binding Energies:
  • Pose 1: -7.415 kcal/mol
  • Pose 2: -7.388 kcal/mol
  • Pose 3: -7.332 kcal/mol
  • Pose 4: -7.309 kcal/mol
  • Pose 5: -7.276 kcal/mol
  • Pose 6: -7.274 kcal/mol
  • Pose 7: -7.216 kcal/mol
  • Pose 8: -7.081 kcal/mol
  • Pose 9: -6.985 kcal/mol
CHEMBL3084936_dpp4
Energy Plot
RMSD Scatter Plot