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Search Publications by: Frank Delaglio (Fed)

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Displaying 26 - 46 of 46

Practical Guidelines to 13C-based NMR Metabolomics

August 29, 2019
Author(s)
Arthur S. Edison, Adrien Le Guennec, Frank Delaglio, Eriks Kupce
We present an overview of 13C-based NMR metabolomics. At first glance, the low sensitivity of 13C relative to 1H NMR might seem like too great an obstacle to use this approach. However, there are several advantages to 13C NMR, whether samples can be

Enabling adoption of 2D-NMR for the higher order structure assessment of monoclonal antibody therapeutics

January 1, 2019
Author(s)
Robert G. Brinson, John P. Marino, Frank Delaglio, Luke W. Arbogast, Ryan M. Evans, Anthony J. Kearsley, Yves Aubin, Gregory Pierens, Xinying Jia, David Keizer, Jonas Stahle, Goran Widmalm, Chad Lawrence, Patrick Reardon, John Cort, Koichi Kato, Stuart Parnham, Andreas Blomgren, Torgny Rundlof, Kang Chen, David Keire, Thea Suter-Stahel, Gerhard Wider, Donna Baldisseri, Julie Wu, Mats Wikstrom, Medhi Mobli
Of the top ten drugs on the global market in 2016, seven of them are biologics with a combined market value of over US$60 billion. Moreover, around 2,800 biopharmaceuticals, many of them monoclonal antibodies (mAbs), are in some stage of clinical

Nonuniform Sampling in Multidimensional NMR for Improving Spectral Sensitivity

April 1, 2018
Author(s)
Matthew Zambrello, Adam D. Schuyler, Mark W. Maciejewski, Frank Delaglio, Irina Bezsonova, Jeffrey C. Hoch
The development of multidimensional NMR spectroscopy enabled an explosion of structural and dynamical investigations on proteins and other biomacromolecules. Practical limitations on data sampling, based on the Jeener paradigm of parametric sampling of

Preliminary Comparison of Non-Fourier Methods for Spectrum Analysis of Nonuniformly Sampled NMR Data

January 2, 2018
Author(s)
Mark W. Maciejewski, Hesam Dashti, Matthew Zambrello, Adam D. Schuyler, Mehdi Mobli, Hamid R. Eghbalnia, Frank Delaglio, Alan S. Stern, Jeffrey C. Hoch
The development of multidimensional NMR spectroscopy enabled an explosion of structural and dynamical investigations on proteins and other biomacromolecules. Practical limitations on data sampling, based on the Jeener paradigm of parametric sampling of

Letter in response to V. Stodden et al., Science 354, 1240 (2016).

January 2, 2018
Author(s)
Mark W. Maciejewski, Adam D. Schuyler, Michael R. Gryk, Ion I. Moraru, Pedro R. Romero, Eldon L. Ulrich, Hamid R. Eghbalnia, Miron Livny, Frank Delaglio, Jeffrey C. Hoch
Stodden et al. (1) bring welcome attention to the problem of reproducibility of computational analyses, and recommend guidelines for addressing the barriers to reproducibility. However, one important barrier to long-term reproducibility of computational

Non-Uniform Sampling for All: More Spectral Quality, Less Measurement Time

June 30, 2017
Author(s)
Frank Delaglio, Gregory S. Walker, Kathleen A. Farley, Raman Sharma, Jeffrey C. Hoch, Luke Arbogast, Robert Brinson, John Marino
Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable tool in pharmaceutical science, with uses in drug discovery, development, and manufacturing. Non-Uniform Sampling (NUS) is an acquisition method for NMR experiments with two or more

NMRbox: A Resource for Biomolecular NMR Computation

May 25, 2017
Author(s)
Mark W. Maciejewski, Adam D. Schuyler, Michael R. Gryk, Ion I. Moraru, Pedro R. Romero, Eldon L. Ulrich, Hamid R. Eghbalnia, Miron Livny, Frank Delaglio, Jeffrey C. Hoch
Advances in computation have been enabling for many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large