NMR in the Cloud

NMR in the Cloud: Resources for Moving Biomolecular NMR Research to the cloud is the ideal reference for Biomolecular researchers to explore and incorporate cloud-based tools to increase productivity of their projects. The COVID-19 pandemic, by forcing social distancing and work-from-home, has accelerated these trends and increased the demand for online resources for data processing and analysis, data storage, and remote collaboration and training tools. The trend toward online research will continue well after the pandemic subsides, because online resources remain valuable even in the absence of restrictions on in-person work. They increase the efficiency of the research enterprise and make it more robust in the face of disruptions of all sorts, environmental as well as public health.

The book is structured around four parts. The first introduces reproducible computing for Bio-NMR, and collaborative computing tools. Part two presents online NMR platforms, including WeNMR, SB Grid, BMBR, Scientific Cloud Computing tools, and data Stewardship. The third part covers NMR specific online tools, including NMRfx, NMRPipe, NMRFAM-SPARKY, MNova, Chemical Shift Prediction, Peak Assignment, SPINACH, GISSMO, CSRosetta, NMR Metabolomics, Protein Structure Prediction, and reproducibility in the cloud environment. Part four presents case studies that help researchers envision how to select and deploy these tools to make their biological quest more productive and impactful.

Biomolecular researchers will benefit from this book by gaining insights into selecting and using these analytical tools in the most productive way. Core Bio-NMR Managers may as well benefit from offering the book as reference for their customers.