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

Docking Result

CHEMBL2022467_dpp4

Atoms: 270
Models: 9
Best Energy: -8.616 kcal/mol

Binding Energies:
  • Pose 1: -8.616 kcal/mol
  • Pose 2: -8.363 kcal/mol
  • Pose 3: -8.332 kcal/mol
  • Pose 4: -8.247 kcal/mol
  • Pose 5: -8.189 kcal/mol
  • Pose 6: -7.902 kcal/mol
  • Pose 7: -7.8 kcal/mol
  • Pose 8: -7.698 kcal/mol
  • Pose 9: -7.607 kcal/mol
CHEMBL2022467_dpp4
Energy Plot
RMSD Scatter Plot