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

Docking Result

CHEMBL193885_dpp4

Atoms: 297
Models: 9
Best Energy: -8.688 kcal/mol

Binding Energies:
  • Pose 1: -8.688 kcal/mol
  • Pose 2: -8.574 kcal/mol
  • Pose 3: -8.554 kcal/mol
  • Pose 4: -8.541 kcal/mol
  • Pose 5: -8.498 kcal/mol
  • Pose 6: -8.396 kcal/mol
  • Pose 7: -8.353 kcal/mol
  • Pose 8: -8.251 kcal/mol
  • Pose 9: -7.986 kcal/mol
CHEMBL193885_dpp4
Energy Plot
RMSD Scatter Plot