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

Docking Result

CHEMBL92028_dpp4

Atoms: 189
Models: 9
Best Energy: -7.036 kcal/mol

Binding Energies:
  • Pose 1: -7.036 kcal/mol
  • Pose 2: -6.7 kcal/mol
  • Pose 3: -6.649 kcal/mol
  • Pose 4: -6.607 kcal/mol
  • Pose 5: -6.548 kcal/mol
  • Pose 6: -6.537 kcal/mol
  • Pose 7: -6.493 kcal/mol
  • Pose 8: -6.389 kcal/mol
  • Pose 9: -6.172 kcal/mol
CHEMBL92028_dpp4
Energy Plot
RMSD Scatter Plot