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

Docking Result

CHEMBL245059_dpp4

Atoms: 207
Models: 9
Best Energy: -7.627 kcal/mol

Binding Energies:
  • Pose 1: -7.627 kcal/mol
  • Pose 2: -7.542 kcal/mol
  • Pose 3: -7.488 kcal/mol
  • Pose 4: -7.456 kcal/mol
  • Pose 5: -7.447 kcal/mol
  • Pose 6: -7.433 kcal/mol
  • Pose 7: -7.372 kcal/mol
  • Pose 8: -7.356 kcal/mol
  • Pose 9: -7.143 kcal/mol
CHEMBL245059_dpp4
Energy Plot
RMSD Scatter Plot