Integrative NMR for biomolecular research

By Woonghee Lee, Gabriel Cornilescu, Hesam T. Dashti, Hamid R. Eghbalnia, Marco Tonelli, William M. Westler, S. Butcher, K. Henzler-Wildman, John L. Markley. 2016

49 citations recorded by the source corpus.

NMR spectroscopy is a powerful technique for determining structural and functional features of biomolecules in physiological solution as well as for observing their intermolecular interactions in real-time. However, complex steps associated with its practice have made the approach daunting for non-specialists. We introduce an NMR platform that makes biomolecular NMR spectroscopy much more accessible by integrating tools, databases, web services, and video tutorials that can be launched by simple installation of NMRFAM software packages or using a cross-platform virtual machine that can be run on any standard laptop or desktop computer. The software package can be downloaded freely from the NMRFAM software download page (http://pine.nmrfam.wisc.edu/download_packages.html), and detailed instructions are available from the Integrative NMR Video Tutorial page (http://pine.nmrfam.wisc.edu/integrative.html).

Subfields: Biomedical Engineering, Molecular Biology

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In Molecular Biology

Citations in the corpus

POKY software tools encapsulating assignment strategies for solution and solid-state protein NMR data (2022, methodology): “Because the APES peak picking program (Shin et al., 2008), which was integral to Integrative NMR , supports data from only a few solution NMR experiments, we recently developed iPick (Rahimi et al., 2021), a program that works with data from a wide range of 2D/3D/4D NMR experiments.”
NMRbox: A Resource for Biomolecular NMR Computation. (2017, background): “Prominent examples include COMPASS (15), and the NMRFAM Integrative NMR platform (16).”
I-PINE web server: an integrative probabilistic NMR assignment system for proteins (2019, methodology): “In addition, the availability of 3D coordinates improves the efficiency of AUDANA (Lee et al. 2016), the database assisted NOE assignment algorithm that interfaces with NMRFAM-SPARKY and I-PINE.”
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data (2016, methodology): “The Integrative NMR package (Lee et al. 2016) supports probabilistic methods for data interpretation (Bahrami et al. 2012; Lee et al. 2013) and automated structure determination from chemical shift assignments and NOE spectra (Lee et al. 2011).”