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

Docking Result

CHEMBL227954_dpp4

Atoms: 261
Models: 9
Best Energy: -8.511 kcal/mol

Binding Energies:
  • Pose 1: -8.511 kcal/mol
  • Pose 2: -8.425 kcal/mol
  • Pose 3: -8.349 kcal/mol
  • Pose 4: -8.043 kcal/mol
  • Pose 5: -7.811 kcal/mol
  • Pose 6: -7.786 kcal/mol
  • Pose 7: -7.653 kcal/mol
  • Pose 8: -7.447 kcal/mol
  • Pose 9: -7.431 kcal/mol
CHEMBL227954_dpp4
Energy Plot
RMSD Scatter Plot