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

Docking Result

CHEMBL437570_dpp4

Atoms: 171
Models: 9
Best Energy: -6.599 kcal/mol

Binding Energies:
  • Pose 1: -6.599 kcal/mol
  • Pose 2: -6.349 kcal/mol
  • Pose 3: -6.336 kcal/mol
  • Pose 4: -6.219 kcal/mol
  • Pose 5: -6.219 kcal/mol
  • Pose 6: -6.147 kcal/mol
  • Pose 7: -6.12 kcal/mol
  • Pose 8: -6.082 kcal/mol
  • Pose 9: -5.979 kcal/mol
CHEMBL437570_dpp4
Energy Plot
RMSD Scatter Plot