Local mobility in amorphous pharmaceuticals—characterization and implications on stability

S Bhattacharya, RAJ Suryanarayanan - Journal of pharmaceutical sciences, 2009 - Elsevier
In recent years, considerable effort has been directed towards correlating molecular mobility
with the physical as well as chemical stability of amorphous pharmaceuticals. Global …

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 …

Terahertz underdamped vibrational motion governs protein-ligand binding in solution

DA Turton, HM Senn, T Harwood, AJ Lapthorn… - Nature …, 2014 - nature.com
Low-frequency collective vibrational modes in proteins have been proposed as being
responsible for efficiently directing biochemical reactions and biological energy transport …

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 …

On the molecular origin of the cooperative coil-to-globule transition of poly (N-isopropylacrylamide) in water

L Tavagnacco, E Zaccarelli, E Chiessi - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
By means of atomistic molecular dynamics simulations we investigate the behaviour of poly
(N-isopropylacrylamide), PNIPAM, in water at temperatures below and above the lower …

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 …

Dynamics of water bound to crystalline cellulose

H O'Neill, SV **ali, L Petridis, J He, E Mamontov… - Scientific reports, 2017 - nature.com
Interactions of water with cellulose are of both fundamental and technological importance.
Here, we characterize the properties of water associated with cellulose using deuterium …

[KNIHA][B] Interfacial and confined water

I Brovchenko, A Oleinikova - 2008 - books.google.com
Water in the proximity of a surface (interfacial water) is abundant on the earth. It is involved
in various physical and chemical processes and crucial for biological function. Despite …

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 …

Influence of hydration on protein dynamics: combining dielectric and neutron scattering spectroscopy data

S Khodadadi, S Pawlus, AP Sokolov - The Journal of Physical …, 2008 - ACS Publications
Combining dielectric spectroscopy and neutron scattering data for hydrated lysozyme
powders, we were able to identify several relaxation processes and follow protein dynamics …