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

Docking Result

CHEMBL1230044_dpp4

Atoms: 243
Models: 9
Best Energy: -8.251 kcal/mol

Binding Energies:
  • Pose 1: -8.251 kcal/mol
  • Pose 2: -7.992 kcal/mol
  • Pose 3: -7.74 kcal/mol
  • Pose 4: -7.546 kcal/mol
  • Pose 5: -7.5 kcal/mol
  • Pose 6: -7.499 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.177 kcal/mol
  • Pose 9: -6.962 kcal/mol
CHEMBL1230044_dpp4
Energy Plot
RMSD Scatter Plot