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

Docking Result

CHEMBL424854_dpp4

Atoms: 270
Models: 9
Best Energy: -7.398 kcal/mol

Binding Energies:
  • Pose 1: -7.398 kcal/mol
  • Pose 2: -7.389 kcal/mol
  • Pose 3: -7.385 kcal/mol
  • Pose 4: -7.383 kcal/mol
  • Pose 5: -7.253 kcal/mol
  • Pose 6: -6.96 kcal/mol
  • Pose 7: -6.947 kcal/mol
  • Pose 8: -6.876 kcal/mol
  • Pose 9: -6.839 kcal/mol
CHEMBL424854_dpp4
Energy Plot
RMSD Scatter Plot