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

Docking Result

CHEMBL2425888_dpp4

Atoms: 297
Models: 9
Best Energy: -8.212 kcal/mol

Binding Energies:
  • Pose 1: -8.212 kcal/mol
  • Pose 2: -8.097 kcal/mol
  • Pose 3: -7.549 kcal/mol
  • Pose 4: -7.499 kcal/mol
  • Pose 5: -7.486 kcal/mol
  • Pose 6: -7.472 kcal/mol
  • Pose 7: -7.411 kcal/mol
  • Pose 8: -7.403 kcal/mol
  • Pose 9: -7.289 kcal/mol
CHEMBL2425888_dpp4
Energy Plot
RMSD Scatter Plot