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

Docking Result

CHEMBL4129968_dpp4

Atoms: 324
Models: 9
Best Energy: -9.103 kcal/mol

Binding Energies:
  • Pose 1: -9.103 kcal/mol
  • Pose 2: -8.507 kcal/mol
  • Pose 3: -8.316 kcal/mol
  • Pose 4: -8.261 kcal/mol
  • Pose 5: -8.111 kcal/mol
  • Pose 6: -8.105 kcal/mol
  • Pose 7: -8.087 kcal/mol
  • Pose 8: -8.086 kcal/mol
  • Pose 9: -8.047 kcal/mol
CHEMBL4129968_dpp4
Energy Plot
RMSD Scatter Plot