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CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling

Monosaccharide derivatives such as xylose, fucose, N-acetylglucosamine (GlcNAc), N-acetylgalactosamine (GlaNAc), glucuronic acid, iduronic acid, and N-acetylneuraminic acid (Neu5Ac) are important components of eukaryotic glycans. The present work details development of force-field parameters for the...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Guvench, Olgun, Mallajosyula, Sairam S., Raman, E. Prabhu, Hatcher, Elizabeth, Vanommeslaeghe, Kenno, Foster, Theresa J., Jamison, Francis W., MacKerell, Alexander D.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: 2011
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC3224046/
https://ncbi.nlm.nih.gov/pubmed/22125473
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200328p
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