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

Docking Result

CHEMBL401542_dpp4

Atoms: 216
Models: 9
Best Energy: -6.966 kcal/mol

Binding Energies:
  • Pose 1: -6.966 kcal/mol
  • Pose 2: -6.523 kcal/mol
  • Pose 3: -6.479 kcal/mol
  • Pose 4: -6.328 kcal/mol
  • Pose 5: -6.321 kcal/mol
  • Pose 6: -6.311 kcal/mol
  • Pose 7: -6.296 kcal/mol
  • Pose 8: -6.267 kcal/mol
  • Pose 9: -6.141 kcal/mol
CHEMBL401542_dpp4
Energy Plot
RMSD Scatter Plot