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[NMR paper] Prediction of order parameters based on protein NMR structure ensemble and machine learning
Mar 27, 2024 - 6:15 AM - by nmrlearner
nmrlearner's Avatar Prediction of order parameters based on protein NMR structure ensemble and machine learning

The fast motions of proteins at the picosecond to nanosecond timescale, known as fast dynamics, are closely related to protein conformational entropy and rearrangement, which in turn affect catalysis, ligand binding and protein allosteric effects. The most used NMR approach to study fast protein dynamics is the model free method, which uses order parameter S˛ to describe the amplitude of the internal motion of local group. However, to obtain order parameter through NMR experiments is quite...

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0 Replies | 139 Views
Use of 1H NMR STD, WaterLOGSY, and Langmuir monolayer techniques for characterization of drug–zein protein ... - ScienceDirect.com
Mar 26, 2024 - 5:50 PM - by nmrlearner
nmrlearner's Avatar Use of 1H NMR STD, WaterLOGSY, and Langmuir monolayer techniques for characterization of drug–zein protein ... - ScienceDirect.com

Use of 1H NMR STD, WaterLOGSY, and Langmuir monolayer techniques for characterization of drug–zein protein ... ScienceDirect.com Read here
0 Replies | 91 Views
A suite of solid-state NMR experiments to utilize orphaned magnetization for assignment of proteins using parallel high ... - ScienceDirect.com
Mar 26, 2024 - 5:50 PM - by nmrlearner
nmrlearner's Avatar A suite of solid-state NMR experiments to utilize orphaned magnetization for assignment of proteins using parallel high ... - ScienceDirect.com

A suite of solid-state NMR experiments to utilize orphaned magnetization for assignment of proteins using parallel high ... ScienceDirect.com Read here
0 Replies | 119 Views
Accessing Methyl Groups in Proteins via 1H-detected MAS Solid-state NMR Spectroscopy Employing Random ... - Nature.com
Mar 26, 2024 - 2:00 AM - by nmrlearner
nmrlearner's Avatar Accessing Methyl Groups in Proteins via 1H-detected MAS Solid-state NMR Spectroscopy Employing Random ... - Nature.com

Accessing Methyl Groups in Proteins via 1H-detected MAS Solid-state NMR Spectroscopy Employing Random ... Nature.com Read here
0 Replies | 115 Views
[NMR paper] ASAP: An automatic sequential assignment program for congested multidimensional solid state NMR spectra
Mar 25, 2024 - 1:50 PM - by nmrlearner
nmrlearner's Avatar ASAP: An automatic sequential assignment program for congested multidimensional solid state NMR spectra

Accurate signal assignments can be challenging for congested solid-state NMR (ssNMR) spectra. We describe an automatic sequential assignment program (ASAP) to partially overcome this challenge. ASAP takes three input files: the residue type assignments (RTAs) determined from the better-resolved NCACX spectrum, the full peak list of the NCOCX spectrum, and the protein sequence. It integrates our auto-residue type assignment strategy (ARTIST) with the Monte Carlo simulated annealing (MCSA)...

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0 Replies | 250 Views
Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... - pnas.org
Mar 25, 2024 - 1:35 AM - by nmrlearner
nmrlearner's Avatar Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... - pnas.org

Structural basis for the ethanol action on G-protein–activated inwardly rectifying potassium channel 1 revealed by NMR ... pnas.org Read here
0 Replies | 115 Views
[NMR paper] Exploring Host-Guest Interactions within a 600 kDa DegP Protease Cage Complex Using Hydrodynamics Measurements and Methyl-TROSY NMR
Mar 24, 2024 - 6:32 AM - by nmrlearner
nmrlearner's Avatar Exploring Host-Guest Interactions within a 600 kDa DegP Protease Cage Complex Using Hydrodynamics Measurements and Methyl-TROSY NMR

The DegP protease-chaperone operates within the periplasm of Gram-negative bacteria, where it assists in the regulation of protein homeostasis, promotes virulence, and is essential to survival under stress. To carry out these tasks, DegP forms a network of preorganized apo oligomers that facilitate the capture of substrates within distributions of cage-like complexes which expand to encapsulate clients of various sizes. Although the architectures of DegP cage complexes are well understood,...

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0 Replies | 73 Views
[NMR paper] NMR-Based Analysis of Plasma Lipoprotein Subclass and Lipid Composition Demonstrate the Different Dietary Effects in ApoE-Deficient Mice
Mar 24, 2024 - 6:32 AM - by nmrlearner
nmrlearner's Avatar NMR-Based Analysis of Plasma Lipoprotein Subclass and Lipid Composition Demonstrate the Different Dietary Effects in ApoE-Deficient Mice

Plasma lipid levels are commonly measured using traditional methods such as triglycerides (TG), high-density lipoprotein (HDL), low-density lipoprotein (LDL), and cholesterol (CH). However, the use of newer technologies, such as nuclear magnetic resonance (NMR) with post-analysis platforms, has made it easier to assess lipoprotein profiles in research. In this study involving ApoE-deficient mice that were fed high-fat diets, significant changes were observed in TG, CH, free cholesterol (FC), and...

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0 Replies | 102 Views
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