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

Docking Result

CHEMBL210920_dpp4

Atoms: 216
Models: 9
Best Energy: -7.783 kcal/mol

Binding Energies:
  • Pose 1: -7.783 kcal/mol
  • Pose 2: -7.414 kcal/mol
  • Pose 3: -7.391 kcal/mol
  • Pose 4: -7.379 kcal/mol
  • Pose 5: -7.246 kcal/mol
  • Pose 6: -7.179 kcal/mol
  • Pose 7: -7.027 kcal/mol
  • Pose 8: -6.924 kcal/mol
  • Pose 9: -6.603 kcal/mol
CHEMBL210920_dpp4
Energy Plot
RMSD Scatter Plot