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

Docking Result

CHEMBL2069849_dpp4

Atoms: 324
Models: 9
Best Energy: -8.461 kcal/mol

Binding Energies:
  • Pose 1: -8.461 kcal/mol
  • Pose 2: -8.309 kcal/mol
  • Pose 3: -8.238 kcal/mol
  • Pose 4: -8.163 kcal/mol
  • Pose 5: -8.097 kcal/mol
  • Pose 6: -8.039 kcal/mol
  • Pose 7: -8.001 kcal/mol
  • Pose 8: -7.986 kcal/mol
  • Pose 9: -7.977 kcal/mol
CHEMBL2069849_dpp4
Energy Plot
RMSD Scatter Plot