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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2000
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| Assuntos: | |
| Acesso em linha: | 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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