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

Docking Result

CHEMBL427219_dpp4

Atoms: 234
Models: 9
Best Energy: -8.366 kcal/mol

Binding Energies:
  • Pose 1: -8.366 kcal/mol
  • Pose 2: -8.252 kcal/mol
  • Pose 3: -8.146 kcal/mol
  • Pose 4: -7.84 kcal/mol
  • Pose 5: -7.771 kcal/mol
  • Pose 6: -7.734 kcal/mol
  • Pose 7: -7.623 kcal/mol
  • Pose 8: -7.56 kcal/mol
  • Pose 9: -7.545 kcal/mol
CHEMBL427219_dpp4
Energy Plot
RMSD Scatter Plot