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

Docking Result

CHEMBL1683110_dpp4

Atoms: 225
Models: 9
Best Energy: -7.819 kcal/mol

Binding Energies:
  • Pose 1: -7.819 kcal/mol
  • Pose 2: -7.713 kcal/mol
  • Pose 3: -7.519 kcal/mol
  • Pose 4: -7.476 kcal/mol
  • Pose 5: -7.237 kcal/mol
  • Pose 6: -7.15 kcal/mol
  • Pose 7: -7.06 kcal/mol
  • Pose 8: -7.037 kcal/mol
  • Pose 9: -7.023 kcal/mol
CHEMBL1683110_dpp4
Energy Plot
RMSD Scatter Plot