Water determines the structure and dynamics of proteins

MC Bellissent-Funel, A Hassanali, M Havenith… - Chemical …, 2016 - ACS Publications
Water is an essential participant in the stability, structure, dynamics, and function of proteins
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …

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 …

Direct observation of hierarchical protein dynamics

JR Lewandowski, ME Halse, M Blackledge, L Emsley - Science, 2015 - science.org
One of the fundamental challenges of physical biology is to understand the relationship
between protein dynamics and function. At physiological temperatures, functional motions …

Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins

G Schirò, Y Fichou, FX Gallat, K Wood, F Gabel… - Nature …, 2015 - nature.com
Hydration water is the natural matrix of biological macromolecules and is essential for their
activity in cells. The coupling between water and protein dynamics has been intensively …

Detecting the first hydration shell structure around biomolecules at interfaces

D Konstantinovsky, EA Perets, T Santiago… - ACS Central …, 2022 - ACS Publications
Understanding the role of water in biological processes remains a central challenge in the
life sciences. Water structures in hydration shells of biomolecules are difficult to study in situ …

Perspective: Watching low-frequency vibrations of water in biomolecular recognition by THz spectroscopy

Y Xu, M Havenith - The Journal of chemical physics, 2015 - pubs.aip.org
Terahertz (THz) spectroscopy has turned out to be a powerful tool which is able to shed new
light on the role of water in biomolecular processes. The low frequency spectrum of the …

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 …

Biomolecular hydration dynamics: a jump model perspective

AC Fogarty, E Duboué-Dijon, F Sterpone… - Chemical Society …, 2013 - pubs.rsc.org
The dynamics of water molecules within the hydration shell surrounding a biomolecule can
have a crucial influence on its biochemical function. Characterizing their properties and the …

Biomolecular deuteration for neutron structural biology and dynamics

M Haertlein, M Moulin, JM Devos, V Laux… - Methods in …, 2016 - Elsevier
Neutron scattering studies provide important information in structural biology that is not
accessible using other approaches. The uniqueness of the technique, and its …

Neutrons describe ectoine effects on water H-bonding and hydration around a soluble protein and a cell membrane

G Zaccai, I Bagyan, J Combet, GJ Cuello, B Demé… - Scientific reports, 2016 - nature.com
Understanding adaptation to extreme environments remains a challenge of high
biotechnological potential for fundamental molecular biology. The cytosol of many …