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

Docking Result

CHEMBL2058974_dpp4

Atoms: 270
Models: 9
Best Energy: -7.938 kcal/mol

Binding Energies:
  • Pose 1: -7.938 kcal/mol
  • Pose 2: -7.498 kcal/mol
  • Pose 3: -7.496 kcal/mol
  • Pose 4: -7.417 kcal/mol
  • Pose 5: -7.333 kcal/mol
  • Pose 6: -7.292 kcal/mol
  • Pose 7: -7.065 kcal/mol
  • Pose 8: -6.978 kcal/mol
  • Pose 9: -6.929 kcal/mol
CHEMBL2058974_dpp4
Energy Plot
RMSD Scatter Plot