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

Docking Result

CHEMBL379947_dpp4

Atoms: 216
Models: 9
Best Energy: -6.939 kcal/mol

Binding Energies:
  • Pose 1: -6.939 kcal/mol
  • Pose 2: -6.74 kcal/mol
  • Pose 3: -6.691 kcal/mol
  • Pose 4: -6.644 kcal/mol
  • Pose 5: -6.58 kcal/mol
  • Pose 6: -6.476 kcal/mol
  • Pose 7: -6.441 kcal/mol
  • Pose 8: -6.402 kcal/mol
  • Pose 9: -6.297 kcal/mol
CHEMBL379947_dpp4
Energy Plot
RMSD Scatter Plot