Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data

Journal of Biomolecular NMR
João M C TeixeiraMiquel Pons

Abstract

We present Farseer-NMR ( https://git.io/vAueU ), a software package to treat, evaluate and combine NMR spectroscopic data from sets of protein-derived peaklists covering a range of experimental conditions. The combined advances in NMR and molecular biology enable the study of complex biomolecular systems such as flexible proteins or large multibody complexes, which display a strong and functionally relevant response to their environmental conditions, e.g. the presence of ligands, site-directed mutations, post translational modifications, molecular crowders or the chemical composition of the solution. These advances have created a growing need to analyse those systems' responses to multiple variables. The combined analysis of NMR peaklists from large and multivariable datasets has become a new bottleneck in the NMR analysis pipeline, whereby information-rich NMR-derived parameters have to be manually generated, which can be tedious, repetitive and prone to human error, or even unfeasible for very large datasets. There is a persistent gap in the development and distribution of software focused on peaklist treatment, analysis and representation, and specifically able to handle large multivariable datasets, which are becoming more ...Continue Reading

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Citations

Aug 10, 2019·Angewandte Chemie·Frans A A MulderClaudio Luchinat
Feb 2, 2019·The FEBS Journal·Luca Mureddu, Geerten W Vuister
Oct 27, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·João M C TeixeiraMiquel Pons

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Methods Mentioned

BETA
Nuclear magnetic resonance
NMR

Software Mentioned

Flexible
LibreOffice Suite Photoshop CS2
NmrView
Anaconda
- Meccano
Scipy
BioNMR
Python
Matplotlib
Sparky

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