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CarbBuilder :
CarbBuilder : Software for building molecular models of complex oligo- and polysaccharide structures
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Kuttel, Michelle M. (författare)
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- Ståhle, Jonas (författare)
- Stockholms universitet,Institutionen för organisk kemi
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- Widmalm, Göran (författare)
- Stockholms universitet,Institutionen för organisk kemi
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(creator_code:org_t)
- 2016-06-18
- 2016
- Engelska.
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Ingår i: Journal of Computational Chemistry. - : Wiley. - 0192-8651 .- 1096-987X. ; 37:22, s. 2098-2105
- Relaterad länk:
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https://doi.org/10.1...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- CarbBuilder is a portable software tool for producing three-dimensional molecular models of carbohydrates from the simple text specification of a primary structure. CarbBuilder can generate a wide variety of carbohydrate structures, ranging from monosaccharides to large, branched polysaccharides. Version 2.0 of the software, described in this article, supports monosaccharides of both mammalian and bacterial origin and a range of substituents for derivatization of individual sugar residues. This improved version has a sophisticated building algorithm to explore the range of possible conformations for a specified carbohydrate molecule. Illustrative examples of models of complex polysaccharides produced by CarbBuilder demonstrate the capabilities of the software. CarbBuilder is freely available under the Artistic License 2.0.
Ämnesord
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Nyckelord
- carbohydrate
- polysaccharide conformation
- C
- Albicans
- 3D model
- Shigella flexneri
- organisk kemi
- Organic Chemistry
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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