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Relative Energies of Binding for Antibody–Carbohydrate-Antigen Complexes Computed from Free-Energy Simulations

Free-energy perturbation (FEP) simulations have been applied to a series of analogues of the natural trisaccharide epitope of Salmonella serotype B bound to a fragment of the monoclonal anti-Salmonella antibody Se155-4. This system was selected in order to assess the ability of free-energy perturbat...

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Detaylı Bibliyografya
Asıl Yazarlar: Pathiaseril, Ahammadunny, Woods, Robert J.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2000
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC1764640/
https://ncbi.nlm.nih.gov/pubmed/17211491
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja9914994
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