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

Docking Result

CHEMBL2425067_dpp4

Atoms: 234
Models: 9
Best Energy: -8.287 kcal/mol

Binding Energies:
  • Pose 1: -8.287 kcal/mol
  • Pose 2: -8.261 kcal/mol
  • Pose 3: -8.205 kcal/mol
  • Pose 4: -8.058 kcal/mol
  • Pose 5: -8.016 kcal/mol
  • Pose 6: -8.011 kcal/mol
  • Pose 7: -7.996 kcal/mol
  • Pose 8: -7.982 kcal/mol
  • Pose 9: -7.951 kcal/mol
CHEMBL2425067_dpp4
Energy Plot
RMSD Scatter Plot