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

Docking Result

CHEMBL473166_dpp4

Atoms: 261
Models: 9
Best Energy: -7.618 kcal/mol

Binding Energies:
  • Pose 1: -7.618 kcal/mol
  • Pose 2: -7.365 kcal/mol
  • Pose 3: -7.016 kcal/mol
  • Pose 4: -6.924 kcal/mol
  • Pose 5: -6.839 kcal/mol
  • Pose 6: -6.809 kcal/mol
  • Pose 7: -6.768 kcal/mol
  • Pose 8: -6.746 kcal/mol
  • Pose 9: -6.604 kcal/mol
CHEMBL473166_dpp4
Energy Plot
RMSD Scatter Plot