The BMRB as an evolving resource for biomolecular structure-function research

生物磁共振数据库(BMRB)是国际上开放的 生物分子核磁共振数据。BMRB拥有数以万计的精心策划的化学位移、耦合 蛋白质、核酸和小分子的常数、松弛速率和其他核磁共振参数 分子(包括代谢物)。BMRB中的数据导致了蛋白质结构的进步 未知功能蛋白质的测定、功能注释和分析 生物流体和其他复杂混合物的光谱。BMRB的高度利用的服务是门户， 以高性能计算资源为后盾的是蛋白质结构的计算 使用CS-Rosetta软件从化学位移中分离出来。由于BMRB从 威斯康星大学到康涅狄格州大学健康中心，BMRB失去了对威斯康星大学计算资源的访问。 我们建议获得一个计算集群来继续支持CS-Rosetta服务。

The Biological Magnetic Resonance Data Bank (BMRB) is the international open repository for biomolecular NMR data. BMRB hosts tens of thousands of curated chemical shifts, coupling constants, relaxation rates, and other NMR parameters for proteins, nucleic acids, and small molecules (including metabolites). The data in BMRB has led to advances in protein structure determination, functional annotation of proteins of unknown function, and the analysis of the spectra of biofluids and other complex mixtures. A highly-utilized service of BMRB is a portal, backed by high performance computational resources, is the computation of protein structures from chemical shifts using the CS-Rosetta software. As a result of the move of BMRB from the University of Wisconsin to UConn Health, BMRB lost access to computational resources at UW. We propose to acquire a computational cluster to continue support of the CS-Rosetta service.