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

Docking Result

CHEMBL426649_dpp4

Atoms: 261
Models: 9
Best Energy: -8.445 kcal/mol

Binding Energies:
  • Pose 1: -8.445 kcal/mol
  • Pose 2: -8.439 kcal/mol
  • Pose 3: -7.589 kcal/mol
  • Pose 4: -7.578 kcal/mol
  • Pose 5: -7.426 kcal/mol
  • Pose 6: -7.363 kcal/mol
  • Pose 7: -7.309 kcal/mol
  • Pose 8: -7.252 kcal/mol
  • Pose 9: -7.21 kcal/mol
CHEMBL426649_dpp4
Energy Plot
RMSD Scatter Plot