Recent Advances in Computational Methods for Nuclear Magnetic Resonance Data Processing
KAUST DepartmentComputational Bioscience Research Center (CBRC)
Computer Science Program
Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
Online Publication Date2013-01-11
Print Publication Date2013-02
Permanent link to this recordhttp://hdl.handle.net/10754/552477
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AbstractAlthough three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.
CitationRecent Advances in Computational Methods for Nuclear Magnetic Resonance Data Processing 2013, 11 (1):29 Genomics, Proteomics & Bioinformatics
PubMed Central IDPMC4357661
- Protein structure determination from NMR chemical shifts.
- Authors: Cavalli A, Salvatella X, Dobson CM, Vendruscolo M
- Issue date: 2007 Jun 5
- 3D Computational Modeling of Proteins Using Sparse Paramagnetic NMR Data.
- Authors: Pilla KB, Otting G, Huber T
- Issue date: 2017
- Automated structure determination from NMR spectra.
- Authors: Schmidt E, Güntert P
- Issue date: 2015
- Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3.
- Authors: Cavalli A, Vendruscolo M
- Issue date: 2015 Aug
- Structure determination of biological macromolecules in solution using nuclear magnetic resonance spectroscopy.
- Authors: Wider G
- Issue date: 2000 Dec