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

Docking Result

CHEMBL3910158_dpp4

Atoms: 342
Models: 9
Best Energy: -7.605 kcal/mol

Binding Energies:
  • Pose 1: -7.605 kcal/mol
  • Pose 2: -7.442 kcal/mol
  • Pose 3: -7.399 kcal/mol
  • Pose 4: -7.285 kcal/mol
  • Pose 5: -7.224 kcal/mol
  • Pose 6: -7.191 kcal/mol
  • Pose 7: -7.025 kcal/mol
  • Pose 8: -6.991 kcal/mol
  • Pose 9: -6.967 kcal/mol
CHEMBL3910158_dpp4
Energy Plot
RMSD Scatter Plot