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

Docking Result

CHEMBL210225_dpp4

Atoms: 225
Models: 9
Best Energy: -8.335 kcal/mol

Binding Energies:
  • Pose 1: -8.335 kcal/mol
  • Pose 2: -7.911 kcal/mol
  • Pose 3: -7.8 kcal/mol
  • Pose 4: -7.774 kcal/mol
  • Pose 5: -7.492 kcal/mol
  • Pose 6: -7.349 kcal/mol
  • Pose 7: -7.223 kcal/mol
  • Pose 8: -7.199 kcal/mol
  • Pose 9: -7.167 kcal/mol
CHEMBL210225_dpp4
Energy Plot
RMSD Scatter Plot