Automated structure determination from NMR spectra

P Güntert - European Biophysics Journal, 2009 - Springer
Automated methods for protein structure determination by NMR have increasingly gained
acceptance and are now widely used for the automated assignment of distance restraints …

Advances in automated NMR protein structure determination

P Guerry, T Herrmann - Quarterly reviews of biophysics, 2011 - cambridge.org
Around half of all protein structures solved nowadays using solution-state nuclear magnetic
resonance (NMR) spectroscopy have been because of automated data analysis. The …

Comprehensive automation for NMR structure determination of proteins

P Guerry, T Herrmann - Protein NMR Techniques, 2012 - Springer
This chapter gives an overview of automated protein structure determination by nuclear
magnetic resonance (NMR) with the UNIO protocol that enables high to full automation of all …

Median Modified Wiener Filter for nonlinear adaptive spatial denoising of protein NMR multidimensional spectra

CV Cannistraci, A Abbas, X Gao - Scientific reports, 2015 - nature.com
Denoising multidimensional NMR-spectra is a fundamental step in NMR protein structure
determination. The state-of-the-art method uses wavelet-denoising, which may suffer when …

Error tolerant NMR backbone resonance assignment and automated structure generation

B Alipanahi, X Gao, E Karakoc, SC Li… - … of bioinformatics and …, 2011 - World Scientific
Error tolerant backbone resonance assignment is the cornerstone of the NMR structure
determination process. Although a variety of assignment approaches have been developed …

Graphical interpretation of Boolean operators for protein NMR assignments

D Verdegem, K Dijkstra, X Hanoulle… - Journal of biomolecular …, 2008 - Springer
We have developed a graphics based algorithm for semi-automated protein NMR
assignments. Using the basic sequential triple resonance assignment strategy, the method …

Protein side-chain resonance assignment and NOE assignment using RDC-defined backbones without TOCSY data

J Zeng, P Zhou, BR Donald - Journal of biomolecular NMR, 2011 - Springer
One bottleneck in NMR structure determination lies in the laborious and time-consuming
process of side-chain resonance and NOE assignments. Compared to the well-studied …

Recent advances in computational methods for nuclear magnetic resonance data processing

X Gao - Genomics, proteomics & bioinformatics, 2013 - academic.oup.com
Although three-dimensional protein structure determination using nuclear magnetic
resonance (NMR) spectroscopy is a computationally costly and tedious process that would …

Highly automated protein backbone resonance assignment within a few hours: the «BATCH» strategy and software package

E Lescop, B Brutscher - Journal of biomolecular NMR, 2009 - Springer
Sequential resonance assignment represents an essential step towards the investigation of
protein structure, dynamics, and interaction surfaces. Although the experimental sensitivity …

On the discretization of distance geometry: Theory, algorithms and applications

A Mucherino - 2018 - inria.hal.science
Over the last years, my research activity has mainly been focused on Distance Geometry
(DG). Differently from the classical Euclidean Geometry, DG solely relies on distances, and …