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

Docking Result

CHEMBL4751384_dpp4

Atoms: 396
Models: 9
Best Energy: -8.222 kcal/mol

Binding Energies:
  • Pose 1: -8.222 kcal/mol
  • Pose 2: -8.074 kcal/mol
  • Pose 3: -8.051 kcal/mol
  • Pose 4: -8.026 kcal/mol
  • Pose 5: -7.962 kcal/mol
  • Pose 6: -7.959 kcal/mol
  • Pose 7: -7.955 kcal/mol
  • Pose 8: -7.921 kcal/mol
  • Pose 9: -7.901 kcal/mol
CHEMBL4751384_dpp4
Energy Plot
RMSD Scatter Plot