Hexameric proxies for studying softwood hemicellulose using CHARMM forcefield
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/14191153
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资源简介：
CHARMM Topology files of hexameric xylose oligomers decorated with different patterns of 4-O-methyl-glucuronic acid and L-arabinose substitutions as proxy molecules for softwood xylan.
Configuration files for the individual molecules as well as slab geometries representing the major cellulose surfaces ((100), (110), (1-10)) are also included.
All files in GROMACS format.
创建时间：
2024-11-20
