Structure and dynamics of hydrogels and organogels: An NMR spectroscopy approach
YE Shapiro - Progress in Polymer Science, 2011 - Elsevier
Hydrogels and organogels are semi-solid systems, in which a liquid phase is immobilized by
a three-dimensional network composed of self-assembled, intertwined polymer/gelator …
a three-dimensional network composed of self-assembled, intertwined polymer/gelator …
Structural dynamics of bio-macromolecules by NMR: The slowly relaxing local structure approach
E Meirovitch, YE Shapiro, A Polimeno… - Progress in nuclear …, 2010 - Elsevier
Protein dynamics by NMR has been reviewed extensively in recent years [1–10]. These
surveys show decisively that information on structure should be complemented by …
surveys show decisively that information on structure should be complemented by …
Validation of molecular dynamics simulations of biomolecules using NMR spin relaxation as benchmarks: application to the AMBER99SB force field
SA Showalter, R Brüschweiler - Journal of chemical theory and …, 2007 - ACS Publications
Biological function of biomolecules is accompanied by a wide range of motional behavior.
Accurate modeling of dynamics by molecular dynamics (MD) computer simulations is …
Accurate modeling of dynamics by molecular dynamics (MD) computer simulations is …
Effects of jump dynamics on solid state nuclear magnetic resonance line shapes and spin relaxation times
RL Vold, GL Hoatson - Journal of Magnetic Resonance, 2009 - Elsevier
This paper describes EXPRESS (EXchange Program for RElaxing Spin Systems), a
computer program that simulates the effects of Markovian jump dynamics for a wide variety …
computer program that simulates the effects of Markovian jump dynamics for a wide variety …
Coupling and decoupling of rotational and translational diffusion of proteins under crowding conditions
M Roos, M Ott, M Hofmann, S Link… - Journal of the …, 2016 - ACS Publications
Molecular motion of biopolymers in vivo is known to be strongly influenced by the high
concentration of organic matter inside cells, usually referred to as crowding conditions. To …
concentration of organic matter inside cells, usually referred to as crowding conditions. To …
Design Principles and Theory of Paramagnetic Fluorine‐Labelled Lanthanide Complexes as Probes for 19F Magnetic Resonance: A Proof‐of‐Concept Study
KH Chalmers, E De Luca, NHM Hogg… - … A European Journal, 2010 - Wiley Online Library
The synthesis and spectroscopic properties of a series of CF3‐labelled lanthanide (III)
complexes (Ln= Gd, Tb, Dy, Ho, Er, Tm) with amide‐substituted ligands based on 1, 4, 7, 10 …
complexes (Ln= Gd, Tb, Dy, Ho, Er, Tm) with amide‐substituted ligands based on 1, 4, 7, 10 …
The physical basis of model-free analysis of NMR relaxation data from proteins and complex fluids
B Halle - The Journal of chemical physics, 2009 - pubs.aip.org
NMR relaxation experiments have provided a wealth of information about molecular motions
in macromolecules and ordered fluids. Even though a rigorous theory of spin relaxation is …
in macromolecules and ordered fluids. Even though a rigorous theory of spin relaxation is …
A model of interdomain mobility in a multidomain protein
Domain mobility plays an essential role in the biological function of multidomain systems.
The characteristic times of domain motions fall into the interval from nano-to milliseconds …
The characteristic times of domain motions fall into the interval from nano-to milliseconds …
[HTML][HTML] Biomolecular EPR meets NMR at high magnetic fields
In this review on advanced biomolecular EPR spectroscopy, which addresses both the EPR
and NMR communities, considerable emphasis is put on delineating the complementarity of …
and NMR communities, considerable emphasis is put on delineating the complementarity of …
Local Structures in Proteins from Microsecond Molecular Dynamics Simulations: A Symmetry-Based Perspective
Y Pshetitsky, N Mendelman, M Buck… - The Journal of …, 2024 - ACS Publications
We report on a new method for the characterization of local structures in proteins based on
extensive molecular dynamics (MD) simulations, here, 1 μs in length. The N–H bond of the …
extensive molecular dynamics (MD) simulations, here, 1 μs in length. The N–H bond of the …