☆ 4.7 Article

Explicit models of motions to analyze NMR relaxation data in proteins

JOURNAL OF CHEMICAL PHYSICS (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Review Chemistry, Multidisciplinary

Solid-State NMR Dipolar and Chemical Shift Anisotropy Recoupling Techniques for Structural and Dynamical Studies in Biological Systems

Lixin Liang et al.

Summary: This review highlights the importance and applications of solid-state NMR methodology in biological systems, with a particular focus on recent advances in dipolar and chemical shift anisotropy recoupling methods. The performances of these techniques are compared and discussed, and new challenges and opportunities in biological systems are also explored.

CHEMICAL REVIEWS (2022)

添加到收藏夹

Article Chemistry, Physical

How Much Entropy Is Contained in NMR Relaxation Parameters?

Falk Hoffmann et al.

Summary: Solution-state NMR relaxation experiments and molecular dynamics simulations have shown that while most entropy is contained within short-time dynamics, the slow dynamics of side chains on longer timescales significantly affects side-chain conformational entropy and must be considered for accurate extraction of thermodynamic properties.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

添加到收藏夹

Review Chemistry, Multidisciplinary

Solid-State NMR Dipolar and Chemical Shift Anisotropy Recoupling Techniques for Structural and Dynamical Studies in Biological Systems

Lixin Liang et al.

Summary: This review highlights the importance of ssNMR as a tool for investigating atomic scale structure and dynamics in biological systems, and compares the performances of different recoupling techniques for structural determination and dynamical characterization.

CHEMICAL REVIEWS (2022)

添加到收藏夹

Review Biochemistry & Molecular Biology

NMR spectroscopy captures the essential role of dynamics in regulating biomolecular function

T. Reid Alderson et al.

Summary: The article demonstrates the importance of nuclear magnetic resonance (NMR) spectroscopy in studying the dynamic structures of biomolecules, including its wide range of applications in revealing biomolecular motions, functional dynamics in large molecular machines, transient conformations implicated in disease onset, and weak interactions involved in liquid-liquid phase separation.

CELL (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

How wide is the window opened by high-resolution relaxometry on the internal dynamics of proteins in solution?

Albert A. Smith et al.

Summary: This study demonstrates improvements in characterizing internal dynamics of methyl-bearing side chains by utilizing carbon-13 relaxometry in the small protein ubiquitin. The results show that relaxometry data provides better information about nanosecond motions compared to high-field relaxation data, especially with increasing correlation time of rotational diffusion.

JOURNAL OF BIOMOLECULAR NMR (2021)

添加到收藏夹

Review Biochemistry & Molecular Biology

Model-Free or Not?

Kai Zumpfe et al.

Summary: Relaxation in nuclear magnetic resonance is a powerful method for obtaining dynamics information about molecular systems, but biomolecular systems are generally too complex for full characterization using NMR data alone. The Lipari-Szabo model-free analysis captures the full information content of NMR relaxation data when all internal motion of a molecule in solution is sufficiently fast. Various methods, such as model-free, spectral density mapping, and LeMaster's approach, form a class of analysis methods where the behavior of fitted parameters has a well-defined relationship to the distribution of correlation times of motion. Of these methods, only detectors are generally applicable to solid-state NMR relaxation data.

FRONTIERS IN MOLECULAR BIOSCIENCES (2021)

添加到收藏夹

Article Chemistry, Physical

Fitting Side-Chain NMR Relaxation Data Using Molecular Simulations

Felix Kummerer et al.

Summary: Researchers propose an approach to integrate side-chain NMR relaxation measurements with molecular dynamics simulations to study the structure and dynamics of proteins. They apply the method to T4 lysozyme and demonstrate how it can combine the accuracy of NMR measurements with molecular models of protein dynamics from simulations.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)

添加到收藏夹

Article Chemistry, Physical

Predicting NMR relaxation of proteins from molecular dynamics simulations with accurate methyl rotation barriers

Falk Hoffmann et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

添加到收藏夹

Article Biochemical Research Methods

Theoretical and computational framework for the analysis of the relaxation properties of arbitrary spin systems. Application to high-resolution relaxometry

Nicolas Bolik-Coulon et al.

JOURNAL OF MAGNETIC RESONANCE (2020)

添加到收藏夹

Article Multidisciplinary Sciences

How directed evolution reshapes the energy landscape in an enzyme to boost catalysis

Renee Otten et al.

SCIENCE (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Localized and Collective Motions in HET-s(218-289) Fibrils from Combined NMR Relaxation and MD Simulation

Albert A. Smith et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Physical

Understanding the methyl-TROSY effect over a wide range of magnetic fields

Nicolas Bolik-Coulon et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

添加到收藏夹

Article Chemistry, Physical

Reducing bias in the analysis of solution-state NMR data with dynamics detectors

Albert A. Smith et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

A Unified Description of Intrinsically Disordered Protein Dynamics under Physiological Conditions Using NMR Spectroscopy

Wiktor Adamski et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

SpinDynamica: Symbolic and numerical magnetic resonance in a Mathematica environment

Christian Bengs et al.

MAGNETIC RESONANCE IN CHEMISTRY (2018)

添加到收藏夹

Article Chemistry, Physical

Optimized detectors for dynamics analysis in solid-state NMR

Albert A. Smith et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

添加到收藏夹

Article Chemistry, Physical

Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields

Falk Hoffmann et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

添加到收藏夹

Article Biochemical Research Methods

Basic experiments in 2H static NMR for the characterization of protein side-chain dynamics

Liliya Vugmeyster et al.

METHODS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Time-Resolved Protein Side-Chain Motions Unraveled by High-Resolution Relaxometry and Molecular Dynamics Simulations

Samuel F. Cousin et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

添加到收藏夹

Article Biophysics

Analysis of NMR Spin-Relaxation Data Using an Inverse Gaussian Distribution Function

Andrew Hsu et al.

BIOPHYSICAL JOURNAL (2018)

添加到收藏夹

Article Biochemistry & Molecular Biology

Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery

Meng S. Choy et al.

MOLECULAR CELL (2017)

添加到收藏夹

Article Chemistry, Physical

Multi-Timescale Dynamics in Intrinsically Disordered Proteins from NMR Relaxation and Molecular Simulation

Nicola Salvi et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

添加到收藏夹

Review Chemistry, Multidisciplinary

Fluctuations within Folded Proteins: Implications for Thermodynamic and Allosteric Regulation

Kateri H. DuBay et al.

ACCOUNTS OF CHEMICAL RESEARCH (2015)

添加到收藏夹

Article Biophysics

Distribution of Pico- and Nanosecond Motions in Disordered Proteins from Nuclear Spin Relaxation

Shahid N. Khan et al.

BIOPHYSICAL JOURNAL (2015)

添加到收藏夹

Article Biochemistry & Molecular Biology

Coupling between overall rotational diffusion and domain motions in proteins and its effect on dielectric spectra

Yaroslav Ryabov

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

A Sharp Thermal Transition of Fast Aromatic-Ring Dynamics in Ubiquitin

Vignesh Kasinath et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

添加到收藏夹

Article Chemistry, Physical

Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation

Michelle L. Gill et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2014)

添加到收藏夹

Article Chemistry, Physical

Coupling between internal dynamics and rotational diffusion in the presence of exchange between discrete molecular conformations

Yaroslav Ryabov et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

添加到收藏夹

Article Chemistry, Physical

Probing Side-Chain Dynamics in Proteins by the Measurement of Nine Deuterium Relaxation Rates Per Methyl Group

Xinli Liao et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

添加到收藏夹

Article Chemistry, Physical

Toward the Characterization of Fractional Stochastic Processes Underlying Methyl Dynamics in Proteins

Paolo Calligari et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Interpreting Protein Structural Dynamics from NMR Chemical Shifts

Paul Robustelli et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

添加到收藏夹

Article Multidisciplinary Sciences

Ultrahigh resolution protein structures using NMR chemical shift tensors

Benjamin J. Wylie et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Stereospecific Isotopic Labeling of Methyl Groups for NMR Spectroscopic Studies of High-Molecular-Weight Proteins

Pierre Gans et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

添加到收藏夹

Article Chemistry, Physical

Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment

Vania Calandrini et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Review Chemistry, Physical

Nuclear spin relaxation in isotropic and anisotropic media

Matthew P. Nicholas et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2010)

添加到收藏夹

Article Chemistry, Multidisciplinary

Protein Structure Refinement Using 13Cα Chemical Shift Tensors

Benjamin J. Wylie et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

添加到收藏夹

Article Chemistry, Multidisciplinary

A Dictionary for Protein Side-Chain Entropies from NMR Order Parameters

Da-Wei Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

添加到收藏夹

Article Multidisciplinary Sciences

Influence of the coupling of interdomain and overall motions on NMR relaxation

Vance Wong et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

添加到收藏夹

Article Chemistry, Physical

Protein dynamics from a NMR perspective: Networks of coupled rotators and fractional Brownian dynamics

Vania Calandrini et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Physical

Re-evaluation of the model-free analysis of fast internal motion in proteins using NMR relaxation

Kendra King Frederick et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

添加到收藏夹

Article Biochemistry & Molecular Biology

Dynamic properties of a type II cadherin adhesive domain: Implications for the mechanism of strand-swapping of classical cadherins

Vesselin Z. Miloushev et al.

STRUCTURE (2008)

添加到收藏夹

Article Biochemistry & Molecular Biology

Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor

Edward J. d'Auvergne et al.

JOURNAL OF BIOMOLECULAR NMR (2008)

添加到收藏夹

Article Chemistry, Physical

An improved picture of methyl dynamics in proteins from slowly relaxing local structure analysis of 2H spin relaxation

Eva Meirovitch et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

添加到收藏夹

Article Biochemistry & Molecular Biology

Vibrational averaging of chemical shift anisotropies in model peptides

Sishi Tang et al.

JOURNAL OF BIOMOLECULAR NMR (2007)

添加到收藏夹

Article Chemistry, Physical

Accurate measurement of longitudinal cross-relaxation rates in nuclear magnetic resonance

Philippe Pelupessy et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

添加到收藏夹

Article Biochemical Research Methods

Bloch-Redfield-Wangsness theory engine implementation using symbolic processing software

Ilya Kuprov et al.

JOURNAL OF MAGNETIC RESONANCE (2007)

添加到收藏夹

Article Chemistry, Physical

Methyl dynamics in proteins from NMR slowly relaxing local structure spin relaxation analysis: A new perspective

Eva Meirovitch et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

添加到收藏夹

Article Chemistry, Physical

Protein dynamics from NMR: The slowly relaxing local structure analysis compared with model-free analysis

Eva Meirovitch et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

添加到收藏夹

Article Chemistry, Multidisciplinary

Variability of the 15N chemical shielding tensors in the B3 domain of protein G from 15N relaxation measurements at several fields.: Implications for backbone order parameters

Jennifer B. Hall et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

添加到收藏夹

Review Chemistry, Multidisciplinary

Fast time scale dynamics of protein backbones: NMR relaxation methods, applications, and functional consequences

Virginia A. Jarymowycz et al.

CHEMICAL REVIEWS (2006)

添加到收藏夹

Article Biochemical Research Methods

Isotope labeling strategies for the study of high-molecular-weight proteins by solution NMR spectroscopy

Vitali Tugarinov et al.

NATURE PROTOCOLS (2006)

添加到收藏夹

Article Chemistry, Multidisciplinary

Site-specific 13C chemical shift anisotropy measurements in a uniformly 15N,13C-labeled microcrystalline protein by 3D magic-angle spinning NMR spectroscopy

BJ Wylie et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

添加到收藏夹

Article Multidisciplinary Sciences

Simultaneous determination of protein structure and dynamics

K Lindorff-Larsen et al.

NATURE (2005)

添加到收藏夹

Review Chemistry, Multidisciplinary

NMR characterization of the dynamics of biomacromolecules

AG Palmer

CHEMICAL REVIEWS (2004)

添加到收藏夹

Article Biochemistry & Molecular Biology

Estimates of methyl 13C and 1H CSA values (Δσ) in proteins from cross-correlated spin relaxation

V Tugarinov et al.

JOURNAL OF BIOMOLECULAR NMR (2004)

添加到收藏夹

Article Chemistry, Multidisciplinary

The origin of protein sidechain order parameter distributions

RB Best et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

添加到收藏夹

Article Biochemical Research Methods

Efficient and accurate determination of the overall rotational diffusion tensor of a molecule from 15N relaxation data using computer program ROTDIF

O Walker et al.

JOURNAL OF MAGNETIC RESONANCE (2004)

添加到收藏夹

Article Chemistry, Multidisciplinary

Methyl TROSY: explanation and experimental verification

JE Ollerenshaw et al.

MAGNETIC RESONANCE IN CHEMISTRY (2003)

添加到收藏夹

Article Chemistry, Physical

Mode-coupling analysis of 15N CSA-15N-1H dipolar cross-correlation in proteins. Rhombic potentials at the N-H bond

E Meirovitch et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

添加到收藏夹

Article Chemistry, Multidisciplinary

Cross-correlated relaxation enhanced 1H-13C NMR spectroscopy of methyl groups in very high molecular weight proteins and protein complexes

V Tugarinov et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

添加到收藏夹

Article Chemistry, Multidisciplinary

Insights into the mobility of methyl-bearing side chains in proteins from 3JCC and 3JCN couplings

JJ Chou et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

添加到收藏夹

Review Chemistry, Physical

Semi-classical nuclear spin relaxation theory revisited for use with biological macromolecules

P Luginbühl et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2002)

添加到收藏夹

Article Biochemistry & Molecular Biology

Backbone dynamics of the natively unfolded pro-peptide of subtilisin by heteronuclear NMR relaxation studies

AV Buevich et al.

JOURNAL OF BIOMOLECULAR NMR (2001)

添加到收藏夹

Article Chemistry, Multidisciplinary

A structural mode-coupling approach to 15N NMR relaxation in proteins

V Tugarinov et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)

添加到收藏夹

Article Chemistry, Multidisciplinary

Solid-state NMR determination of 13Cα chemical shift anisotropies for the identification of protein secondary structure

M Hong

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.