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

Docking Result

CHEMBL2206481_dpp4

Atoms: 378
Models: 9
Best Energy: -9.682 kcal/mol

Binding Energies:
  • Pose 1: -9.682 kcal/mol
  • Pose 2: -9.558 kcal/mol
  • Pose 3: -9.479 kcal/mol
  • Pose 4: -9.438 kcal/mol
  • Pose 5: -9.374 kcal/mol
  • Pose 6: -9.298 kcal/mol
  • Pose 7: -9.286 kcal/mol
  • Pose 8: -9.228 kcal/mol
  • Pose 9: -9.213 kcal/mol
CHEMBL2206481_dpp4
Energy Plot
RMSD Scatter Plot