X-ray and neutron scattering of water
This review article focuses on the most recent advances in X-ray and neutron scattering
studies of water structure, from ambient temperature to the deeply supercooled and …
studies of water structure, from ambient temperature to the deeply supercooled and …
Neutron scattering in the biological sciences: progress and prospects
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 …
of biological systems on multiple length and time scales. Pursuant to a National Science …
Dynamical transition of protein-hydration water
Thin layers of water on biomolecular and other nanostructured surfaces can be supercooled
to temperatures not accessible with bulk water. Chen et al.[Proc. Natl. Acad. Sci. USA 103 …
to temperatures not accessible with bulk water. Chen et al.[Proc. Natl. Acad. Sci. USA 103 …
Core-shell magnetic morphology of structurally uniform magnetite nanoparticles
A new development in small-angle neutron scattering with polarization analysis allows us to
directly extract the average spatial distributions of magnetic moments and their correlations …
directly extract the average spatial distributions of magnetic moments and their correlations …
Role of hydration water in the onset of protein structural dynamics
Proteins are the molecular workhorses in a living organism. Their 3D structures are
animated by a multitude of equilibrium fluctuations and specific out-of-equilibrium motions …
animated by a multitude of equilibrium fluctuations and specific out-of-equilibrium motions …
Hierarchical molecular dynamics of bovine serum albumin in concentrated aqueous solution below and above thermal denaturation
The dynamics of proteins in solution is a complex and hierarchical process, affected by the
aqueous environment as well as temperature. We present a comprehensive study on …
aqueous environment as well as temperature. We present a comprehensive study on …
Extension of the LOPLS-AA force field for alcohols, esters, and monoolein bilayers and its validation by neutron scattering experiments
K Pluhackova, H Morhenn, L Lautner… - The Journal of …, 2015 - ACS Publications
The recently presented LOPLS-AA all-atom force field for long hydrocarbon chains, based
on the OPLS-AA force field, was extended to alcohols, esters, and glyceryl monooleate …
on the OPLS-AA force field, was extended to alcohols, esters, and glyceryl monooleate …
Decoupling of the Onset of Anharmonicity between a Protein and Its Surface Water around 200 K
The protein dynamical transition at~ 200 K, where the biomolecule transforms from a
harmonic, non-functional form to an anharmonic, functional state, has been thought to be …
harmonic, non-functional form to an anharmonic, functional state, has been thought to be …
[HTML][HTML] CHESS: The future direct geometry spectrometer at the second target station
CHESS, chopper spectrometer examining small samples, is a planned direct geometry
neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to …
neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to …
Physical origin of anharmonic dynamics in proteins: new insights from resolution-dependent neutron scattering on homomeric polypeptides
Neutron scattering reveals a complex dynamics in polypeptide chains, with two main onsets
of anharmonicity whose physical origin and biological role are still debated. In this study the …
of anharmonicity whose physical origin and biological role are still debated. In this study the …