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Frank Delaglio (Fed)

Principal Investigator

I develop computational methods for extracting useful information from Nuclear Magnetic Resonance (NMR) data, to support development and manufacturing of drugs and vaccines, and to support basic research in structural biology.  At NIST I focus on development of approaches for characterization of the high order structure of biologics, so that these important therapeutics can continue to be safe and effective, and become more available and affordable.  My areas of interest include multidimensional spectral processing and analysis, spectral fingerprinting, data visualization, and NMR homology approaches to biomolecular structure determination, and my work always includes the goal of producing practical, working software.  

In the NMR community, I'm best known as the developer of the NMRPipe software system (, which has been cited over 10,000 times in peer-reviewed literature, and has been used to help generate over 40% of protein structures ever measured by NMR.

A full publication list is available on Google Scholar.


Monitoring Spectrometer Drift with Unsupervised Machine Learning

Benjamin Harding, Ziling Hu, Ashley Hiett, Frank Delaglio, Katherine Henzler- Wildman, Chad Rienstra
Solid-state NMR spectroscopy (SSNMR) is a powerful technique to probe structural and dynamic properties of molecules at an atomic level. Modern SSNMR methods

Interlaboratory Studies using the NISTmAb to Advance Biopharmaceutical Structural Analytics

Katharina Yandrofski, Trina Mouchahoir, M. Lorna De Leoz, David L. Duewer, Jeffrey W. Hudgens, Kyle Anderson, Luke Arbogast, Frank Delaglio, Robert Brinson, John Marino, Karen W. Phinney, Michael J. Tarlov, John E. Schiel
Biopharmaceuticals such as monoclonal antibodies are required to be rigorously characterized using a wide range of analytical methods. Various material

NUScon: A community-driven platform for quantitative evaluation of nonuniform sampling in NMR

Yulia Pustovalova, Frank Delaglio, Darien Craft, Hari Arthanari, Ad Bax, Martin Billeter, Mark Bostock, Hesam Dashti, Flemming Hansen, Sven Hyberts, Bruce Johnson, Krzysztof Kazimierczuk, Hengfa Lu, Mark W. Maciejewski, Tomas Miljenovic, Mehdi Mobli, Daniel Nietlispach, Vladislav Orekhov, Robert Powers, Xiaobo Qu, Scott Robson, David Rovnyak, Gerhard Wagner, Jinfa Ying, Matthew Zambrello, Jeffrey C. Hoch, David Donoho, Adam D. Schuyler
Although the concepts of non-uniform sampling (NUS) and non-Fourier spectral reconstruction in multidimensional NMR began to emerge four decades ago
Created October 23, 2018, Updated December 8, 2022