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

Docking Result

CHEMBL591278_dpp4

Atoms: 270
Models: 9
Best Energy: -7.811 kcal/mol

Binding Energies:
  • Pose 1: -7.811 kcal/mol
  • Pose 2: -7.747 kcal/mol
  • Pose 3: -7.691 kcal/mol
  • Pose 4: -7.675 kcal/mol
  • Pose 5: -7.672 kcal/mol
  • Pose 6: -7.626 kcal/mol
  • Pose 7: -7.557 kcal/mol
  • Pose 8: -7.518 kcal/mol
  • Pose 9: -7.256 kcal/mol
CHEMBL591278_dpp4
Energy Plot
RMSD Scatter Plot