Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing

doi:10.1371/journal.pone.0189700

QIBEBT-IR > 代谢物组学研究组

	Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing
	Yingang Feng
	2017-12-12
发表期刊	Plos One
卷号	12 期号:12 页码:e0189700
摘要	The use of NMR methods to determine the three-dimensional structures of carbohydrates and glycoproteins is still challenging, in part because of the lack of standard protocols. In order to increase the convenience of structure determination, the topology and parameter files for carbohydrates in the program Crystallography & NMR System (CNS) were investigated and new files were developed to be compatible with the standard simulated annealing protocols for proteins and nucleic acids. Recalculating the published structures of protein-carbohydrate complexes and glycosylated proteins demonstrates that the results are comparable to the published structures which employed more complex procedures for structure calculation. Integrating the new carbohydrate parameters into the standard structure calculation protocol will facilitate three-dimensional structural study of carbohydrates and glycosylated proteins by NMR spectroscopy.
文章类型	Article
DOI	10.1371/journal.pone.0189700
收录类别	SCI
语种	英语
WOS记录号	WOS:000417698200065
引用统计	被引频次：6[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/9860
专题	代谢物组学研究组
通讯作者	Yingang Feng
作者单位	中国科学院青岛生物能源与过程研究所
推荐引用方式 GB/T 7714	Yingang Feng. Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing[J]. Plos One,2017,12(12):e0189700.
APA	Yingang Feng.(2017).Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing.Plos One,12(12),e0189700.
MLA	Yingang Feng."Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing".Plos One 12.12(2017):e0189700.

条目包含的文件		下载所有文件
文件名称/大小	文献类型	版本类型	开放类型	使用许可
Compatible topologie（3714KB）	期刊论文	作者接受稿	开放获取	CC BY-NC-SA	浏览下载