NMR characterization of the dynamics of biomacromolecules

AG Palmer III - Chemical reviews, 2004 - ACS Publications
Function in biological systems is exquisitely dependent on spatial and temporal changes in
biomacromolecules. Innumerable biological processes ultimately rely on transduction of …

Solid-state NMR dipolar and chemical shift anisotropy recoupling techniques for structural and dynamical studies in biological systems

L Liang, Y Ji, K Chen, P Gao, Z Zhao, G Hou - Chemical Reviews, 2022 - ACS Publications
With the development of NMR methodology and technology during the past decades, solid-
state NMR (ssNMR) has become a particularly important tool for investigating structure and …

Use of chemical shifts in macromolecular structure determination

DS Wishart, DA Case - Methods in enzymology, 2002 - Elsevier
Chemical shifts are the universal language of nuclear magnetic resonance (NMR). They
communicate in a simple way detailed molecular information that almost every chemist can …

NMR probes of molecular dynamics: overview and comparison with other techniques

AG Palmer III - Annual review of biophysics and biomolecular …, 2001 - annualreviews.org
▪ Abstract NMR spin relaxation spectroscopy is a powerful approach for characterizing
intramolecular and overall rotational motions in proteins. This review describes experimental …

Measurement of Slow (μs−ms) Time Scale Dynamics in Protein Side Chains by 15N Relaxation Dispersion NMR Spectroscopy:  Application to Asn and Gln …

FAA Mulder, NR Skrynnikov, B Hon… - Journal of the …, 2001 - ACS Publications
A new NMR experiment is presented for the measurement of μs− ms time scale dynamics of
Asn and Gln side chains in proteins. Exchange contributions to the 15N line widths of side …

13C Direct Detected NMR for Challenging Systems

IC Felli, R Pierattelli - Chemical Reviews, 2022 - ACS Publications
Thanks to recent improvements in NMR spectrometer hardware and pulse sequence design,
modern 13C NMR has become a useful tool for biomolecular applications. The complete …

NMR studies of Brownian tumbling and internal motions in proteins

DM Korzhnev, M Billeter, AS Arseniev… - Progress in Nuclear …, 2001 - Elsevier
2.1. 2. Green function for rigid body diffusion.................................... 225 2.1. 3. NMR correlation
functions............................................. 226 2.2. Calculations of the diffusion …

Measurement of proton, nitrogen, and carbonyl chemical shielding anisotropies in a protein dissolved in a dilute liquid crystalline phase

G Cornilescu, A Bax - Journal of the American Chemical Society, 2000 - ACS Publications
The changes in a solute's chemical shifts between an isotropic and a liquid crystalline phase
provide information on the magnitude and orientation of the chemical shielding tensors …

Disulfide bond isomerization in basic pancreatic trypsin inhibitor: multisite chemical exchange quantified by CPMG relaxation dispersion and chemical shift modeling

MJ Grey, C Wang, AG Palmer - Journal of the American Chemical …, 2003 - ACS Publications
Conformational changes occurring on the microsecond− millisecond time scale in basic
pancreatic trypsin inhibitor (BPTI) are investigated using nuclear magnetic resonance …

Molecular properties from combined QM/MM methods. 2. Chemical shifts in large molecules

Q Cui, M Karplus - The Journal of Physical Chemistry B, 2000 - ACS Publications
A method for calculating the chemical shielding tensor of any atom with the QM/MM
approach has been developed. The method is described and applied to a number of model …