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

Docking Result

CHEMBL2385295_dpp4

Atoms: 234
Models: 9
Best Energy: -8.174 kcal/mol

Binding Energies:
  • Pose 1: -8.174 kcal/mol
  • Pose 2: -7.955 kcal/mol
  • Pose 3: -7.929 kcal/mol
  • Pose 4: -7.877 kcal/mol
  • Pose 5: -7.872 kcal/mol
  • Pose 6: -7.834 kcal/mol
  • Pose 7: -7.821 kcal/mol
  • Pose 8: -7.624 kcal/mol
  • Pose 9: -7.476 kcal/mol
CHEMBL2385295_dpp4
Energy Plot
RMSD Scatter Plot