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

Docking Result

CHEMBL4435383_dpp4

Atoms: 324
Models: 9
Best Energy: -7.588 kcal/mol

Binding Energies:
  • Pose 1: -7.588 kcal/mol
  • Pose 2: -7.573 kcal/mol
  • Pose 3: -7.528 kcal/mol
  • Pose 4: -7.483 kcal/mol
  • Pose 5: -7.473 kcal/mol
  • Pose 6: -7.421 kcal/mol
  • Pose 7: -7.331 kcal/mol
  • Pose 8: -7.284 kcal/mol
  • Pose 9: -7.201 kcal/mol
CHEMBL4435383_dpp4
Energy Plot
RMSD Scatter Plot