The analysis of nuclear magnetic resonance (NMR) spectra for the comprehensive and unambiguous identification and characterization of peaks is a difficult, but critically important step in all NMR analyses of complex biological molecular systems. Here, we introduce DEEP Picker, a deep neural network (DNN)-based approach for peak picking and spectral deconvolution which semi-automates the analysis of two-dimensional NMR spectra. DEEP Picker includes 8 hidden convolutional layers and was trained...
[NMR paper] FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling
FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling
In recent years, the transformative potential of deep neural networks (DNNs) for analysing and interpreting NMR data has clearly been recognised. However, most applications of DNNs in NMR to date either struggle to outperform existing methodologies or are limited in scope to a narrow range of data that closely resemble the data that the network was trained on. These limitations have prevented a widescale uptake of DNNs in NMR. Addressing this, we introduce FID-Net, a deep neural...
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04-20-2021 12:46 PM
FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling
FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling
Abstract
In recent years, the transformative potential of deep neural networks (DNNs) for analysing and interpreting NMR data has clearly been recognised. However, most applications of DNNs in NMR to date either struggle to outperform existing methodologies or are limited in scope to a narrow range of data that closely resemble the data that the network was trained on. These limitations have prevented a widescale uptake of DNNs in NMR....
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04-19-2021 10:30 AM
[NMR paper] Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
Chem Commun (Camb). 2018 Mar 28;54(25):3090-3093
Authors: Puig-Castellví F, Pérez Y, Piña B, Tauler R, Alfonso I
Abstract
We propose an approach to efficiently compress and denoise...
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04-12-2018 01:11 PM
[NMR paper] NMRNet: A deep learning approach to automated peak picking of protein NMR spectra.
NMRNet: A deep learning approach to automated peak picking of protein NMR spectra.
NMRNet: A deep learning approach to automated peak picking of protein NMR spectra.
Bioinformatics. 2018 Mar 14;:
Authors: Klukowski P, Augoff M, Zieba M, Drwal M, Gonczarek A, Walczak MJ
Abstract
Motivation: Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking would...
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03-17-2018 12:12 PM
Students bring 'fresh insights' to scientific research on gene expression, deep neural networks and more - Clark University News Hub
http://www.bionmr.com//t1.gstatic.com/images?q=tbn:ANd9GcTVd062HSNkufpFLOXoHxhOr1s0onXKhPyi91bbXm51srwsuet1eajYCvbuLO7yooXH_P0TNwUX
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Students bring 'fresh insights' to scientific research on gene expression, deep neural networks and more
Clark University News Hub
... biochemistry and molecular biology senior Pinky Htun '17 of Myanmar spent June and July isolating, purifying and studying proteins using state-of-the-art lab equipment, including a high-speed centrifuge and a nuclear magnetic resonance spectrometer.
Students...
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08-25-2016 05:42 AM
[NMR paper] Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.
Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.
Deconvolution of Complex 1D NMR Spectra Using Objective Model Selection.
PLoS One. 2015;10(8):e0134474
Authors: Hughes TS, Wilson HD, de Vera IM, Kojetin DJ
Abstract
Fluorine (19F) NMR has emerged as a useful tool for characterization of slow dynamics in 19F-labeled proteins. One-dimensional (1D) 19F NMR spectra of proteins can be broad, irregular and complex, due to exchange of probe nuclei between distinct electrostatic environments; and therefore cannot...
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08-05-2015 08:21 PM
[NMR analysis blog] Learning NMR with Deep Purple
Learning NMR with Deep Purple
It’s not that I’ve gone crazy (well, I hope not :-) ) or that Deep Purple has moved from Hard Rock to Science (or at least I‘m not aware of this), but after my last post about the acoustic reproduction of NMR FIDS, I thought that it would be fun to compose a simple song and, at the same time, create some stuff which can serve as an educational tool for some very basic NMR.
I won’t actually compose anything original, but rather make an NMR cover of the famous Smoke on the Water riff by Deep Purple. It’s very simple with a central theme consisting in a...