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

Docking Result

CHEMBL2147715_dpp4

Atoms: 297
Models: 9
Best Energy: -8.173 kcal/mol

Binding Energies:
  • Pose 1: -8.173 kcal/mol
  • Pose 2: -7.983 kcal/mol
  • Pose 3: -7.693 kcal/mol
  • Pose 4: -7.674 kcal/mol
  • Pose 5: -7.62 kcal/mol
  • Pose 6: -7.514 kcal/mol
  • Pose 7: -7.483 kcal/mol
  • Pose 8: -7.389 kcal/mol
  • Pose 9: -7.384 kcal/mol
CHEMBL2147715_dpp4
Energy Plot
RMSD Scatter Plot