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

Docking Result

CHEMBL3914236_dpp4

Atoms: 216
Models: 9
Best Energy: -7.327 kcal/mol

Binding Energies:
  • Pose 1: -7.327 kcal/mol
  • Pose 2: -7.297 kcal/mol
  • Pose 3: -7.295 kcal/mol
  • Pose 4: -7.272 kcal/mol
  • Pose 5: -7.225 kcal/mol
  • Pose 6: -7.224 kcal/mol
  • Pose 7: -7.211 kcal/mol
  • Pose 8: -7.173 kcal/mol
  • Pose 9: -7.131 kcal/mol
CHEMBL3914236_dpp4
Energy Plot
RMSD Scatter Plot