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

Docking Result

CHEMBL2022533_dpp4

Atoms: 252
Models: 9
Best Energy: -8.465 kcal/mol

Binding Energies:
  • Pose 1: -8.465 kcal/mol
  • Pose 2: -8.198 kcal/mol
  • Pose 3: -8.045 kcal/mol
  • Pose 4: -7.93 kcal/mol
  • Pose 5: -7.79 kcal/mol
  • Pose 6: -7.785 kcal/mol
  • Pose 7: -7.539 kcal/mol
  • Pose 8: -7.447 kcal/mol
  • Pose 9: -7.401 kcal/mol
CHEMBL2022533_dpp4
Energy Plot
RMSD Scatter Plot