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

Docking Result

CHEMBL99111_dpp4

Atoms: 207
Models: 9
Best Energy: -6.289 kcal/mol

Binding Energies:
  • Pose 1: -6.289 kcal/mol
  • Pose 2: -6.053 kcal/mol
  • Pose 3: -6.041 kcal/mol
  • Pose 4: -6.035 kcal/mol
  • Pose 5: -6.006 kcal/mol
  • Pose 6: -5.982 kcal/mol
  • Pose 7: -5.951 kcal/mol
  • Pose 8: -5.817 kcal/mol
  • Pose 9: -5.813 kcal/mol
CHEMBL99111_dpp4
Energy Plot
RMSD Scatter Plot