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

Docking Result

CHEMBL328613_dpp4

Atoms: 225
Models: 9
Best Energy: -9.031 kcal/mol

Binding Energies:
  • Pose 1: -9.031 kcal/mol
  • Pose 2: -8.722 kcal/mol
  • Pose 3: -8.72 kcal/mol
  • Pose 4: -8.618 kcal/mol
  • Pose 5: -8.521 kcal/mol
  • Pose 6: -8.505 kcal/mol
  • Pose 7: -8.461 kcal/mol
  • Pose 8: -8.436 kcal/mol
  • Pose 9: -8.305 kcal/mol
CHEMBL328613_dpp4
Energy Plot
RMSD Scatter Plot