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

Docking Result

CHEMBL4785892_dpp4

Atoms: 270
Models: 9
Best Energy: -7.719 kcal/mol

Binding Energies:
  • Pose 1: -7.719 kcal/mol
  • Pose 2: -7.467 kcal/mol
  • Pose 3: -7.458 kcal/mol
  • Pose 4: -7.433 kcal/mol
  • Pose 5: -7.398 kcal/mol
  • Pose 6: -7.396 kcal/mol
  • Pose 7: -7.233 kcal/mol
  • Pose 8: -7.173 kcal/mol
  • Pose 9: -7.016 kcal/mol
CHEMBL4785892_dpp4
Energy Plot
RMSD Scatter Plot