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

Docking Result

CHEMBL3805346_dpp4

Atoms: 297
Models: 9
Best Energy: -9.077 kcal/mol

Binding Energies:
  • Pose 1: -9.077 kcal/mol
  • Pose 2: -8.865 kcal/mol
  • Pose 3: -8.746 kcal/mol
  • Pose 4: -8.353 kcal/mol
  • Pose 5: -8.231 kcal/mol
  • Pose 6: -8.23 kcal/mol
  • Pose 7: -8.226 kcal/mol
  • Pose 8: -8.174 kcal/mol
  • Pose 9: -8.073 kcal/mol
CHEMBL3805346_dpp4
Energy Plot
RMSD Scatter Plot