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

Docking Result

CHEMBL3697941_dpp4

Atoms: 297
Models: 9
Best Energy: -7.714 kcal/mol

Binding Energies:
  • Pose 1: -7.714 kcal/mol
  • Pose 2: -7.7 kcal/mol
  • Pose 3: -7.495 kcal/mol
  • Pose 4: -7.337 kcal/mol
  • Pose 5: -7.323 kcal/mol
  • Pose 6: -7.19 kcal/mol
  • Pose 7: -7.181 kcal/mol
  • Pose 8: -7.147 kcal/mol
  • Pose 9: -7.105 kcal/mol
CHEMBL3697941_dpp4
Energy Plot
RMSD Scatter Plot