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

Docking Result

CHEMBL169758_dpp4

Atoms: 252
Models: 9
Best Energy: -7.888 kcal/mol

Binding Energies:
  • Pose 1: -7.888 kcal/mol
  • Pose 2: -7.489 kcal/mol
  • Pose 3: -7.484 kcal/mol
  • Pose 4: -7.476 kcal/mol
  • Pose 5: -7.257 kcal/mol
  • Pose 6: -7.191 kcal/mol
  • Pose 7: -7.19 kcal/mol
  • Pose 8: -7.151 kcal/mol
  • Pose 9: -7.107 kcal/mol
CHEMBL169758_dpp4
Energy Plot
RMSD Scatter Plot