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

Docking Result

CHEMBL2385300_dpp4

Atoms: 225
Models: 9
Best Energy: -7.793 kcal/mol

Binding Energies:
  • Pose 1: -7.793 kcal/mol
  • Pose 2: -7.506 kcal/mol
  • Pose 3: -7.234 kcal/mol
  • Pose 4: -7.207 kcal/mol
  • Pose 5: -7.134 kcal/mol
  • Pose 6: -7.042 kcal/mol
  • Pose 7: -7.033 kcal/mol
  • Pose 8: -6.984 kcal/mol
  • Pose 9: -6.866 kcal/mol
CHEMBL2385300_dpp4
Energy Plot
RMSD Scatter Plot