Structural and dynamical properties of liquids in confinements: A review of molecular dynamics simulation studies

R Horstmann, L Hecht, S Kloth, M Vogel - Langmuir, 2022 - ACS Publications
Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered
properties of liquids in confinement, in particular, of changed structures and dynamics. They …

Protein dynamics: from rattling in a cage to structural relaxation

S Khodadadi, AP Sokolov - Soft Matter, 2015 - pubs.rsc.org
We present an overview of protein dynamics based mostly on results of neutron scattering,
dielectric relaxation spectroscopy and molecular dynamics simulations. We identify several …

Dynamics of proteins in solution

M Grimaldo, F Roosen-Runge, F Zhang… - Quarterly Reviews of …, 2019 - cambridge.org
The dynamics of proteins in solution includes a variety of processes, such as backbone and
side-chain fluctuations, interdomain motions, as well as global rotational and translational …

The protein-solvent glass transition

W Doster - Biochimica et Biophysica Acta (BBA)-Proteins and …, 2010 - Elsevier
The protein dynamical transition and its connection with the liquid-glass transition (GT) of
hydration water and aqueous solvents are reviewed. The protein solvation shell exhibits a …

Dynamics of protein and its hydration water: neutron scattering studies on fully deuterated GFP

JD Nickels, H O'Neill, L Hong, M Tyagi, G Ehlers… - Biophysical journal, 2012 - cell.com
We present a detailed analysis of the picosecond-to-nanosecond motions of green
fluorescent protein (GFP) and its hydration water using neutron scattering spectroscopy and …

Relaxation dynamics of a protein solution investigated by dielectric spectroscopy

M Wolf, R Gulich, P Lunkenheimer, A Loidl - Biochimica et Biophysica Acta …, 2012 - Elsevier
In the present work, we provide a dielectric study on two differently concentrated aqueous
lysozyme solutions in the frequency range from 1MHz to 40GHz and for temperatures from …

Water as a biomolecule.

P Ball - Water and Life: The Unique Properties of H2O, 2010 - books.google.com
When Szent-Györgyi1 called water the “matrix of life,” he was echoing an old sentiment.
Paracelsus, in the sixteenth century, said that “water was the matrix of the world and of all its …

Backscattering silicon spectrometer (BASIS): sixteen years in advanced materials characterization

NC Osti, N Jalarvo, E Mamontov - Materials Horizons, 2024 - pubs.rsc.org
Quasielastic neutron scattering (QENS) is an experimental technique that can measure
parameters of mobility, such as diffusion jump rate and jump length, as well as localized …

Quasielastic neutron scattering in soft matter

VG Sakai, A Arbe - Current Opinion in Colloid & Interface Science, 2009 - Elsevier
The general trend in soft matter is to study systems of increasing complexity which are more
technologically and biologically relevant. This is facilitated by the capability of quasielastic …

Neutron scattering in the biological sciences: progress and prospects

R Ashkar, H Bilheux, H Bordallo, R Briber… - Biological …, 2018 - journals.iucr.org
The scattering of neutrons can be used to provide information on the structure and dynamics
of biological systems on multiple length and time scales. Pursuant to a National Science …