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

Docking Result

CHEMBL6146627_dpp4

Atoms: 270
Models: 9
Best Energy: -8.472 kcal/mol

Binding Energies:
  • Pose 1: -8.472 kcal/mol
  • Pose 2: -8.36 kcal/mol
  • Pose 3: -8.261 kcal/mol
  • Pose 4: -8.171 kcal/mol
  • Pose 5: -8.005 kcal/mol
  • Pose 6: -7.91 kcal/mol
  • Pose 7: -7.909 kcal/mol
  • Pose 8: -7.563 kcal/mol
  • Pose 9: -7.528 kcal/mol
CHEMBL6146627_dpp4
Energy Plot
RMSD Scatter Plot