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

Docking Result

CHEMBL4581959_dpp4

Atoms: 306
Models: 9
Best Energy: -7.816 kcal/mol

Binding Energies:
  • Pose 1: -7.816 kcal/mol
  • Pose 2: -7.68 kcal/mol
  • Pose 3: -7.667 kcal/mol
  • Pose 4: -7.632 kcal/mol
  • Pose 5: -7.525 kcal/mol
  • Pose 6: -7.378 kcal/mol
  • Pose 7: -7.242 kcal/mol
  • Pose 8: -7.196 kcal/mol
  • Pose 9: -6.992 kcal/mol
CHEMBL4581959_dpp4
Energy Plot
RMSD Scatter Plot