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

Docking Result

CHEMBL6014994_dpp4

Atoms: 198
Models: 9
Best Energy: -6.733 kcal/mol

Binding Energies:
  • Pose 1: -6.733 kcal/mol
  • Pose 2: -6.445 kcal/mol
  • Pose 3: -6.408 kcal/mol
  • Pose 4: -6.375 kcal/mol
  • Pose 5: -6.346 kcal/mol
  • Pose 6: -6.293 kcal/mol
  • Pose 7: -6.278 kcal/mol
  • Pose 8: -6.114 kcal/mol
  • Pose 9: -6.09 kcal/mol
CHEMBL6014994_dpp4
Energy Plot
RMSD Scatter Plot