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

Docking Result

CHEMBL1812728_dpp4

Atoms: 207
Models: 9
Best Energy: -7.454 kcal/mol

Binding Energies:
  • Pose 1: -7.454 kcal/mol
  • Pose 2: -7.331 kcal/mol
  • Pose 3: -6.837 kcal/mol
  • Pose 4: -6.82 kcal/mol
  • Pose 5: -6.805 kcal/mol
  • Pose 6: -6.793 kcal/mol
  • Pose 7: -6.776 kcal/mol
  • Pose 8: -6.304 kcal/mol
  • Pose 9: -6.261 kcal/mol
CHEMBL1812728_dpp4
Energy Plot
RMSD Scatter Plot