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

Docking Result

CHEMBL4092983_dpp4

Atoms: 261
Models: 9
Best Energy: -9.013 kcal/mol

Binding Energies:
  • Pose 1: -9.013 kcal/mol
  • Pose 2: -7.508 kcal/mol
  • Pose 3: -7.49 kcal/mol
  • Pose 4: -7.299 kcal/mol
  • Pose 5: -7.251 kcal/mol
  • Pose 6: -7.238 kcal/mol
  • Pose 7: -7.068 kcal/mol
  • Pose 8: -7.049 kcal/mol
  • Pose 9: -6.915 kcal/mol
CHEMBL4092983_dpp4
Energy Plot
RMSD Scatter Plot