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The docking results of LTA to the TLR4/MD-2 complex. (A) Time evolution of RMSD during molecular dynamics simulation. (B) LTA is bound to the hydrophobic pocket of MD2. The yellow ribbons represented TLR4, gray ribbons represented MD2, and green ribbons represented LTA. (C) A close-up view of LTA binding to the MD-2. Residues involved in the interaction between LTA and MD-2 are displayed.
