[NMR paper] Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA
Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA
Nuclear Magnetic Resonance (NMR) spectroscopy is a major technique in structural biology with over 11,800 protein structures deposited in the Protein Data Bank. NMR can elucidate structures and dynamics of small and medium size proteins in solution, living cells, and solids, but has been limited by the tedious data analysis process. It typically requires weeks or months of manual work of a trained expert to turn NMR measurements into a protein structure. Automation of this process is an...
[NMR paper] DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra
DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra
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...
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09-04-2021 10:34 AM
[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
[NMR paper] Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.
Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.
Related Articles Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS.
Solid State Nucl Magn Reson. 2016 Mar 16;76-77:1-6
Authors: Pandey MK, Yarava JR, Zhang R, Ramamoorthy A, Nishiyama Y
Abstract
Chemical shift anisotropy (CSA) tensors offer a wealth of information for structural and dynamics studies of a variety of chemical and...
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03-29-2016 01:43 AM
[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...
Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
Linear Mode
