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The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively
Much of biology happens at the protein-water interface, so all dynamical processes in this region are of fundamental importance. Local structural fluctuations in the hydration layer can be probed by 17O magnetic relaxation dispersion (MRD), which, at high frequencies, measures the integral of a biaxial rotational time correlation function (TCF) - the integral rotational correlation time. Numerous
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best me
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the solvent. The extent of this perturbation has been investigated by numerous methods in the past half-century, but a consensus has still not emerged regarding the spatial range of the perturbation. To a large extent, the disparate views found in the current literature can be traced to the lack of a ri
Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wav
This paper presents the light-scattering properties of atmospheric aerosol particles measured over the past decade at 28 ACTRIS observatories, which are located mainly in Europe. The data include particle light scattering (σsp) and hemispheric backscattering (σbsp) coefficients, scattering Ångström exponent (SAE), backscatter fraction (BF) and asymmetry parameter (g). An increasing gradient of σsp
Infectious diseases are characterized by a complex interplay between host and pathogen, but how these interactions impact the host proteome is unclear. Here we applied a combined mass spectrometry-based proteomics strategy to investigate how the human proteome is transiently modified by the pathogen Streptococcus pyogenes, with a particular focus on bacterial cleavage of IgG in vivo. In invasive d
A review article on all North American poetry translated into Swedish and published during 2017
Recent statistics on language diversity among pupils in Swedish secondary school classrooms show that 24% have another L1 than Swedish. Thus, classrooms are multilingual spaces. In the English subject, an 'English Only' ideology dominates, where classrooms are exclusively English-medium, an ideology endorsed by educational policy, agencies like the Swedish Schools Inspectorate, and teacher educato
20 sidor av F.P. Ramseys funna i arkiv som inte publicerats i A mathematical theory of saving, 20 sidor som besvarar många av de frågor som ekonomerna har ställt genom tiderna. Sahlin ämnade publicera detta, men det gjordes aldrig.
The objective in this research has been to predict the current and future moisture and temperature distribution in a concrete reactor containment, RC. The overall objective in this project was to create a model to be able to predict the moisture and temperature distribution in the concrete wall of the RC of a Pressurized Water Reactor, PWR. In addition, one objective was to design a model to simul
BACKGROUND: Suicide is a major global health problem, especially among youth. Suicide is known to be associated with a variety of social, economic, political and religious factors, vary across geographical and cultural regions. The current study aimed to investigate the effects of socioeconomic factors on suicide mortality rate across different regions in Iran.METHODS: The data on distribution of
