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

Docking Result

CHEMBL2069853_dpp4

Atoms: 351
Models: 9
Best Energy: -8.789 kcal/mol

Binding Energies:
  • Pose 1: -8.789 kcal/mol
  • Pose 2: -8.6 kcal/mol
  • Pose 3: -8.423 kcal/mol
  • Pose 4: -8.402 kcal/mol
  • Pose 5: -8.35 kcal/mol
  • Pose 6: -8.309 kcal/mol
  • Pose 7: -8.181 kcal/mol
  • Pose 8: -7.9 kcal/mol
  • Pose 9: -7.763 kcal/mol
CHEMBL2069853_dpp4
Energy Plot
RMSD Scatter Plot