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

Docking Result

CHEMBL356207_dpp4

Atoms: 144
Models: 9
Best Energy: -4.972 kcal/mol

Binding Energies:
  • Pose 1: -4.972 kcal/mol
  • Pose 2: -4.793 kcal/mol
  • Pose 3: -4.778 kcal/mol
  • Pose 4: -4.773 kcal/mol
  • Pose 5: -4.694 kcal/mol
  • Pose 6: -4.461 kcal/mol
  • Pose 7: -4.383 kcal/mol
  • Pose 8: -4.305 kcal/mol
  • Pose 9: -4.284 kcal/mol
CHEMBL356207_dpp4
Energy Plot
RMSD Scatter Plot