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

Docking Result

CHEMBL401268_dpp4

Atoms: 252
Models: 9
Best Energy: -7.743 kcal/mol

Binding Energies:
  • Pose 1: -7.743 kcal/mol
  • Pose 2: -7.486 kcal/mol
  • Pose 3: -7.424 kcal/mol
  • Pose 4: -7.397 kcal/mol
  • Pose 5: -7.33 kcal/mol
  • Pose 6: -7.21 kcal/mol
  • Pose 7: -7.147 kcal/mol
  • Pose 8: -7.006 kcal/mol
  • Pose 9: -6.988 kcal/mol
CHEMBL401268_dpp4
Energy Plot
RMSD Scatter Plot