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

Docking Result

CHEMBL3917354_dpp4

Atoms: 351
Models: 9
Best Energy: -8.474 kcal/mol

Binding Energies:
  • Pose 1: -8.474 kcal/mol
  • Pose 2: -8.438 kcal/mol
  • Pose 3: -8.359 kcal/mol
  • Pose 4: -8.255 kcal/mol
  • Pose 5: -8.196 kcal/mol
  • Pose 6: -8.179 kcal/mol
  • Pose 7: -8.153 kcal/mol
  • Pose 8: -8.125 kcal/mol
  • Pose 9: -8.001 kcal/mol
CHEMBL3917354_dpp4
Energy Plot
RMSD Scatter Plot