Research Project
10387674
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.
