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

Docking Result

CHEMBL186308_dpp4

Atoms: 270
Models: 9
Best Energy: -8.652 kcal/mol

Binding Energies:
  • Pose 1: -8.652 kcal/mol
  • Pose 2: -8.393 kcal/mol
  • Pose 3: -8.32 kcal/mol
  • Pose 4: -8.251 kcal/mol
  • Pose 5: -7.701 kcal/mol
  • Pose 6: -7.591 kcal/mol
  • Pose 7: -7.578 kcal/mol
  • Pose 8: -7.302 kcal/mol
  • Pose 9: -7.112 kcal/mol
CHEMBL186308_dpp4
Energy Plot
RMSD Scatter Plot