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

Docking Result

CHEMBL3805502_dpp4

Atoms: 306
Models: 9
Best Energy: -9.635 kcal/mol

Binding Energies:
  • Pose 1: -9.635 kcal/mol
  • Pose 2: -9.15 kcal/mol
  • Pose 3: -8.634 kcal/mol
  • Pose 4: -8.5 kcal/mol
  • Pose 5: -8.489 kcal/mol
  • Pose 6: -8.397 kcal/mol
  • Pose 7: -8.331 kcal/mol
  • Pose 8: -8.304 kcal/mol
  • Pose 9: -8.259 kcal/mol
CHEMBL3805502_dpp4
Energy Plot
RMSD Scatter Plot