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

Docking Result

CHEMBL1683641_dpp4

Atoms: 396
Models: 9
Best Energy: -8.51 kcal/mol

Binding Energies:
  • Pose 1: -8.51 kcal/mol
  • Pose 2: -7.642 kcal/mol
  • Pose 3: -7.544 kcal/mol
  • Pose 4: -7.54 kcal/mol
  • Pose 5: -7.424 kcal/mol
  • Pose 6: -7.368 kcal/mol
  • Pose 7: -7.354 kcal/mol
  • Pose 8: -7.305 kcal/mol
  • Pose 9: -7.276 kcal/mol
CHEMBL1683641_dpp4
Energy Plot
RMSD Scatter Plot