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

Docking Result

CHEMBL8260_dpp4

Atoms: 207
Models: 9
Best Energy: -7.809 kcal/mol

Binding Energies:
  • Pose 1: -7.809 kcal/mol
  • Pose 2: -7.683 kcal/mol
  • Pose 3: -7.609 kcal/mol
  • Pose 4: -7.602 kcal/mol
  • Pose 5: -7.584 kcal/mol
  • Pose 6: -7.492 kcal/mol
  • Pose 7: -7.3 kcal/mol
  • Pose 8: -7.167 kcal/mol
  • Pose 9: -7.106 kcal/mol
CHEMBL8260_dpp4
Energy Plot
RMSD Scatter Plot