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Time-optimized protein NMR assignment with an integrative deep ... - Science
Nov 23, 2023 - 10:09 AM - by nmrlearner
nmrlearner's Avatar Time-optimized protein NMR assignment with an integrative deep ... - Science

Time-optimized protein NMR assignment with an integrative deep ... Science Read here
0 Replies | 103 Views
Rapidly determining the 3D structure of proteins by surface ... - Science
Nov 23, 2023 - 10:09 AM - by nmrlearner
nmrlearner's Avatar Rapidly determining the 3D structure of proteins by surface ... Science
Rapidly determining the 3D structure of proteins by surface ... - Science
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0 Replies | 110 Views
[NMR paper] Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction
Nov 23, 2023 - 10:09 AM - by nmrlearner
nmrlearner's Avatar Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction

Chemical shift assignment is vital for nuclear magnetic resonance (NMR)-based studies of protein structures, dynamics, and interactions, providing crucial atomic-level insight. However, obtaining chemical shift assignments is labor intensive and requires extensive measurement time. To address this limitation, we previously proposed ARTINA, a deep learning method for automatic assignment of two-dimensional (2D)-4D NMR spectra. Here, we present an integrative approach that combines ARTINA with...

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0 Replies | 287 Views
Prediction of folding patterns for intrinsic disordered protein ... - Nature.com
Nov 22, 2023 - 6:46 PM - by nmrlearner
nmrlearner's Avatar Prediction of folding patterns for intrinsic disordered protein ... - Nature.com

Prediction of folding patterns for intrinsic disordered protein ... Nature.com Read here
0 Replies | 105 Views
[NMR paper] Line Shape Analysis of 19F NMR-Monitored Chemical Denaturation of a Fold-Switching Protein RfaH Reveals Its Slow Folding Dynamics
Nov 22, 2023 - 6:46 PM - by nmrlearner
nmrlearner's Avatar Line Shape Analysis of 19F NMR-Monitored Chemical Denaturation of a Fold-Switching Protein RfaH Reveals Its Slow Folding Dynamics

The recent discovery of metamorphic proteins, which can switch between multiple conformations under native conditions, has challenged the well-established one sequence-one structure paradigm of protein folding. This is exemplified in the C-terminal domain of the multidomain transcription factor RfaH, which converts from an ?-helical coiled-coil conformation in its autoinhibited state to a ?-barrel conformation upon activation. Here, we use multisite line shape analysis of ^(19)F NMR-monitored...

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0 Replies | 183 Views
[NMR paper] Using NMR diffusion data to validate MD models of disordered proteins: test case of N-terminal tail of histone H4
Nov 22, 2023 - 6:46 PM - by nmrlearner
nmrlearner's Avatar Using NMR diffusion data to validate MD models of disordered proteins: test case of N-terminal tail of histone H4

MD simulations can provide uniquely detailed models of intrinsically disordered proteins (IDPs). However, these models need careful experimental validation. The coefficient of translational diffusion D(tr), measurable by pulsed-field gradient NMR, offers a potentially useful piece of experimental information related to the compactness of the IDP's conformational ensemble. Here we investigate, both experimentally and via the MD modeling, the translational diffusion of 25-residue N-terminal...

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0 Replies | 123 Views
[NMR paper] How Acyl Carrier Proteins (ACPs) Direct Fatty Acid and Polyketide Biosynthesis
Nov 22, 2023 - 6:46 PM - by nmrlearner
nmrlearner's Avatar How Acyl Carrier Proteins (ACPs) Direct Fatty Acid and Polyketide Biosynthesis


Angewandte Chemie International Edition, EarlyView.

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0 Replies | 141 Views
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