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

Docking Result

CHEMBL3680636_dpp4

Atoms: 396
Models: 9
Best Energy: -9.653 kcal/mol

Binding Energies:
  • Pose 1: -9.653 kcal/mol
  • Pose 2: -9.058 kcal/mol
  • Pose 3: -8.912 kcal/mol
  • Pose 4: -8.893 kcal/mol
  • Pose 5: -8.813 kcal/mol
  • Pose 6: -8.504 kcal/mol
  • Pose 7: -8.486 kcal/mol
  • Pose 8: -8.319 kcal/mol
  • Pose 9: -8.309 kcal/mol
CHEMBL3680636_dpp4
Energy Plot
RMSD Scatter Plot