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Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein

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Figure 1. Identification of the mutation sites on the decoy receptor, TV3, for constructing single variants
Figure 2. Crystal structure of the F63W mutant in complex with MD2. (A) Superimposed backbone structure of F63W mutant/MD2 complex into the wild-type decoy receptor/MD2 complex structure
Figure 3. Interface structures of single variants. (A) Superimposed backbone structures of the wild-type decoy receptor and three single mutants (M41E, F63W, and V134L)
Figure 4. Snapshots of molecular dynamics simulation trajec- trajec-tories. Each snapshot was chosen to represent the changes in interaction energies

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