NMR Workshops


NMRhub – Cloud-based Resources for NMR

The topic of our August round-table workshop August 31, 2023 @ 12:00 PM ET USA was an introduction to online resources for NMR based at UConn Health.

NMRhub (nmrhub.org) is home to and access point for three shared NMR resources: Network for Advanced NMR (NAN, usnan.org), and NSF-supported Midscale Research Infrastructure project linking spectrometers from UConn, UW-Madison, and UGA into a shared distributed facility; Center for Biomolecular NMR Data Processing and Analysis (NMRbox.org), an NIH-supported Biomedical Technology Research Resource; and Biological Magnetic Resonance Data Bank (bmrb.org), the NIH-supported international, open repository for biomolecular NMR data.

NAN provides access to greater than 20 high-field NMR spectrometers, including the first open-access 1.1 GHz instruments in North America, tools for resource discovery, secure, automatic archiving of data, and knowledge bases for applications in structural biology, metabolomics, and material science. NMRhub provides identity management and single-sign-on for all three resources.

NMRbox is a Platform-as-a-Service, with more than 250 NMR-related software packages and enterprise-class computational and storage resources. NMRbox also provide support for online training and a data lake with local snapshots of the entire content of PDB, BMRB, NCBI non-redundant sequence data, and the AlphaFold database.

BMRB hosts millions of assigned chemical shifts for proteins and nucleic acids, time-domain data sets, RDC and relaxation data, reference spectra for small biological molecules, and the GISSMO database of parameterized spin systems for small molecules.

In this workshop we will describe the resources available and provide a live demonstration and hands-on access to the resources.

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