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

Docking Result

CHEMBL379948_dpp4

Atoms: 207
Models: 9
Best Energy: -8.349 kcal/mol

Binding Energies:
  • Pose 1: -8.349 kcal/mol
  • Pose 2: -8.114 kcal/mol
  • Pose 3: -8.037 kcal/mol
  • Pose 4: -7.626 kcal/mol
  • Pose 5: -7.394 kcal/mol
  • Pose 6: -7.338 kcal/mol
  • Pose 7: -7.28 kcal/mol
  • Pose 8: -7.261 kcal/mol
  • Pose 9: -7.21 kcal/mol
CHEMBL379948_dpp4
Energy Plot
RMSD Scatter Plot