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- W2083147310 abstract "All-atom explicit-solvent molecular dynamics simulations with advanced sampling methods were applied to completely determine, at atomic resolution, the mechanism of binding of the protein CD44 with the glycosaminoglycan carbohydrate hyaluronan. The results include descriptions of: formation of the protein-carbohydrate complex from separate protein and carbohydrate; conformational switching at the binding site to enhance binding affinity; additional binding affinity enhancement through an order-to-disorder transition in the protein; and inhibition of binding by glycosylation of CD44. These computational results are discussed in the context of and illuminate existing experimental data." @default.
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- W2083147310 date "2014-01-01" @default.
- W2083147310 modified "2023-09-28" @default.
- W2083147310 title "Atomic Resolution Mechanism of Cd44-Hyaluronan Protein-Carbohydrate Binding" @default.
- W2083147310 doi "https://doi.org/10.1016/j.bpj.2013.11.3648" @default.
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