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

Docking Result

CHEMBL452520_dpp4

Atoms: 180
Models: 9
Best Energy: -7.017 kcal/mol

Binding Energies:
  • Pose 1: -7.017 kcal/mol
  • Pose 2: -6.917 kcal/mol
  • Pose 3: -6.608 kcal/mol
  • Pose 4: -6.552 kcal/mol
  • Pose 5: -6.309 kcal/mol
  • Pose 6: -6.291 kcal/mol
  • Pose 7: -6.291 kcal/mol
  • Pose 8: -6.256 kcal/mol
  • Pose 9: -6.088 kcal/mol
CHEMBL452520_dpp4
Energy Plot
RMSD Scatter Plot