Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Jorge Gonzalez-Outeiriño"'
Publikováno v:
Biochemistry. 47:12493-12514
The conformational properties of di- and trisaccharide fragments of the polysialic acid O-antigen capsular polysaccharide (CPS) of Neisseria meningitidis B (NmB) have been investigated by a combination of solution phase NMR spectroscopy and explicit-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55b0f133061172635f241b3efd67ff9f
https://doi.org/10.1021/bi800431c
https://doi.org/10.1021/bi800431c
Autor:
Jorge Gonzalez-Outeiriño, Sarah M. Tschampel, B. Lachele Foley, Karl N. Kirschner, Robert J. Woods, Austin B. Yongye, Charlisa R. Daniels
Publikováno v:
Journal of Computational Chemistry. 29:622-655
A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the AMBER force field and parameters, is presented. All pertinent force field terms have been explicitly specified and so no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2da49a6c1047155b3777805ba3326ef
https://doi.org/10.1002/jcc.20820
https://doi.org/10.1002/jcc.20820
Publikováno v:
Canadian Journal of Chemistry. 84:569-579
The rotational preferences of the hydroxymethyl group in pyranosides is known to depend on the local environment, whether in solid, solution, or gas phase. By combining molecular dynamics (MD) simulations with NMR spectroscopy the rotational preferen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cea5d6ff2cf55b6488cf6549978a9e8
https://doi.org/10.1139/v06-036
https://doi.org/10.1139/v06-036
Autor:
B. Lachele Foley, Renuka Kadirvelraj, Michael G. Ford, Harold J. Jennings, Simon J. Foote, Robert J. Woods, Meredith L. Beckham, Jorge Gonzalez-Outeiriño
Bacterial surface capsular polysaccharides (CPS) that are similar in carbohydrate sequence may differ markedly in immunogenicity and antigenicity. The structural origin of these phenomena is poorly understood. Such a case is presented by the Gram-pos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4414db792c359e440d4e97f33a13a9c3
https://nrc-publications.canada.ca/eng/view/object/?id=d295b89c-124b-4563-88cb-aba85267b74f
https://nrc-publications.canada.ca/eng/view/object/?id=d295b89c-124b-4563-88cb-aba85267b74f
Publikováno v:
Carbohydrate research. 340(5)
The conformational properties of the capsular polysaccharide (CPS) from group B Streptococcus serotype III (GBS III) are derived from 50 ns explicitly solvated molecular dynamics simulations of a 25-residue fragment of the CPS. The results from the s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86b56e2e16ee811b1b0e4d3db70302d5
https://pubmed.ncbi.nlm.nih.gov/15780265
https://pubmed.ncbi.nlm.nih.gov/15780265
Publikováno v:
Journal of the American Chemical Society. 126:6866-6867
We present the conformational analysis of an inhibitor of alpha-mannosidase, based on a novel sulfonium salt structure (1) that mimics the mannosyl cation intermediate. Because of the number of possible isomeric structures for 1, as well as its compl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e6b40e0cb6daa87d352eef11fea18f2
https://doi.org/10.1021/ja049700k
https://doi.org/10.1021/ja049700k