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

Docking Result

CHEMBL4747721_dpp4

Atoms: 198
Models: 9
Best Energy: -7.13 kcal/mol

Binding Energies:
  • Pose 1: -7.13 kcal/mol
  • Pose 2: -7.02 kcal/mol
  • Pose 3: -7.014 kcal/mol
  • Pose 4: -7.007 kcal/mol
  • Pose 5: -6.965 kcal/mol
  • Pose 6: -6.944 kcal/mol
  • Pose 7: -6.714 kcal/mol
  • Pose 8: -6.669 kcal/mol
  • Pose 9: -6.547 kcal/mol
CHEMBL4747721_dpp4
Energy Plot
RMSD Scatter Plot