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

Docking Result

CHEMBL1894963_dpp4

Atoms: 234
Models: 9
Best Energy: -7.622 kcal/mol

Binding Energies:
  • Pose 1: -7.622 kcal/mol
  • Pose 2: -7.369 kcal/mol
  • Pose 3: -7.31 kcal/mol
  • Pose 4: -7.284 kcal/mol
  • Pose 5: -7.178 kcal/mol
  • Pose 6: -7.018 kcal/mol
  • Pose 7: -7.006 kcal/mol
  • Pose 8: -6.97 kcal/mol
  • Pose 9: -6.932 kcal/mol
CHEMBL1894963_dpp4
Energy Plot
RMSD Scatter Plot