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

Docking Result

CHEMBL97025_dpp4

Atoms: 99
Models: 9
Best Energy: -4.637 kcal/mol

Binding Energies:
  • Pose 1: -4.637 kcal/mol
  • Pose 2: -4.419 kcal/mol
  • Pose 3: -4.371 kcal/mol
  • Pose 4: -4.301 kcal/mol
  • Pose 5: -4.292 kcal/mol
  • Pose 6: -4.217 kcal/mol
  • Pose 7: -4.163 kcal/mol
  • Pose 8: -4.141 kcal/mol
  • Pose 9: -4.088 kcal/mol
CHEMBL97025_dpp4
Energy Plot
RMSD Scatter Plot