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

Docking Result

CHEMBL452521_dpp4

Atoms: 234
Models: 9
Best Energy: -8.402 kcal/mol

Binding Energies:
  • Pose 1: -8.402 kcal/mol
  • Pose 2: -8.36 kcal/mol
  • Pose 3: -8.197 kcal/mol
  • Pose 4: -8.142 kcal/mol
  • Pose 5: -8.106 kcal/mol
  • Pose 6: -8.105 kcal/mol
  • Pose 7: -7.504 kcal/mol
  • Pose 8: -7.463 kcal/mol
  • Pose 9: -7.372 kcal/mol
CHEMBL452521_dpp4
Energy Plot
RMSD Scatter Plot