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

Docking Result

CHEMBL1779704_dpp4

Atoms: 342
Models: 9
Best Energy: -7.555 kcal/mol

Binding Energies:
  • Pose 1: -7.555 kcal/mol
  • Pose 2: -7.533 kcal/mol
  • Pose 3: -7.521 kcal/mol
  • Pose 4: -7.476 kcal/mol
  • Pose 5: -7.395 kcal/mol
  • Pose 6: -7.312 kcal/mol
  • Pose 7: -7.146 kcal/mol
  • Pose 8: -7.096 kcal/mol
  • Pose 9: -7.002 kcal/mol
CHEMBL1779704_dpp4
Energy Plot
RMSD Scatter Plot