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

Docking Result

CHEMBL1779703_dpp4

Atoms: 288
Models: 9
Best Energy: -7.976 kcal/mol

Binding Energies:
  • Pose 1: -7.976 kcal/mol
  • Pose 2: -7.845 kcal/mol
  • Pose 3: -7.693 kcal/mol
  • Pose 4: -7.632 kcal/mol
  • Pose 5: -7.628 kcal/mol
  • Pose 6: -7.606 kcal/mol
  • Pose 7: -7.408 kcal/mol
  • Pose 8: -7.301 kcal/mol
  • Pose 9: -7.256 kcal/mol
CHEMBL1779703_dpp4
Energy Plot
RMSD Scatter Plot