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All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins

[Image: see text] We present an extension of the all-atom internal-coordinate force field, ICMFF, that allows for simulation of heterogeneous systems including hexopyranose saccharides and glycan chains in addition to proteins. A library of standard glycan geometries containing α- and β-anomers of t...

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Detalles Bibliográficos
Autores principales:	Arnautova, Yelena A., Abagyan, Ruben, Totrov, Maxim
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2015
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4431507/ https://www.ncbi.nlm.nih.gov/pubmed/25999804 http://dx.doi.org/10.1021/ct501138c

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