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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2015
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| 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 |