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

Docking Result

CHEMBL485125_dpp4

Atoms: 248
Models: 8
Best Energy: -9.092 kcal/mol

Binding Energies:
  • Pose 1: -9.092 kcal/mol
  • Pose 2: -9 kcal/mol
  • Pose 3: -8.522 kcal/mol
  • Pose 4: -8.408 kcal/mol
  • Pose 5: -8.342 kcal/mol
  • Pose 6: -8.238 kcal/mol
  • Pose 7: -8.182 kcal/mol
  • Pose 8: -8.09 kcal/mol
CHEMBL485125_dpp4
Energy Plot
RMSD Scatter Plot