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

Docking Result

CHEMBL1951429_dpp4

Atoms: 333
Models: 9
Best Energy: -9.465 kcal/mol

Binding Energies:
  • Pose 1: -9.465 kcal/mol
  • Pose 2: -9.123 kcal/mol
  • Pose 3: -8.914 kcal/mol
  • Pose 4: -8.715 kcal/mol
  • Pose 5: -8.705 kcal/mol
  • Pose 6: -8.665 kcal/mol
  • Pose 7: -8.383 kcal/mol
  • Pose 8: -8.374 kcal/mol
  • Pose 9: -8.19 kcal/mol
CHEMBL1951429_dpp4
Energy Plot
RMSD Scatter Plot