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

Docking Result

CHEMBL241245_dpp4

Atoms: 232
Models: 8
Best Energy: -7.94 kcal/mol

Binding Energies:
  • Pose 1: -7.94 kcal/mol
  • Pose 2: -7.767 kcal/mol
  • Pose 3: -7.355 kcal/mol
  • Pose 4: -7.319 kcal/mol
  • Pose 5: -7.13 kcal/mol
  • Pose 6: -6.777 kcal/mol
  • Pose 7: -6.77 kcal/mol
  • Pose 8: -6.662 kcal/mol
CHEMBL241245_dpp4
Energy Plot
RMSD Scatter Plot