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doGlycans–Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS

[Image: see text] Carbohydrates constitute a structurally and functionally diverse group of biological molecules and macromolecules. In cells they are involved in, e.g., energy storage, signaling, and cell–cell recognition. All of these phenomena take place in atomistic scales, thus atomistic simula...

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Detalles Bibliográficos
Autores principales: Danne, Reinis, Poojari, Chetan, Martinez-Seara, Hector, Rissanen, Sami, Lolicato, Fabio, Róg, Tomasz, Vattulainen, Ilpo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5662928/
https://www.ncbi.nlm.nih.gov/pubmed/28906114
http://dx.doi.org/10.1021/acs.jcim.7b00237