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

Docking Result

CHEMBL5433274_dpp4

Atoms: 252
Models: 9
Best Energy: -8.498 kcal/mol

Binding Energies:
  • Pose 1: -8.498 kcal/mol
  • Pose 2: -8.419 kcal/mol
  • Pose 3: -8.272 kcal/mol
  • Pose 4: -8.205 kcal/mol
  • Pose 5: -8.198 kcal/mol
  • Pose 6: -8.183 kcal/mol
  • Pose 7: -8.172 kcal/mol
  • Pose 8: -8.155 kcal/mol
  • Pose 9: -8.088 kcal/mol
CHEMBL5433274_dpp4
Energy Plot
RMSD Scatter Plot