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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
It is estimated that the number of devices connected to the Internet will be 50 billion by 2020. How should a not-so-tech-savvy end user be able to discover and directly interact with a myriad of connected things in an intuitive and comfortable manner? Up until now, smartphones have shown potential for managing the Internet of Things (IoT) environments, but we cannot rely on that technology. Weara
In response to the challenge of socializing new IT employees, some IT departments are exploring the incorporation of enterprise social media (hereinafter ESM) as an informal organizational socialization tool. Because this is a relatively new phenomenon, little is known about how ESM facilitate employee socialization. In order to contribute to our understanding of how ESM affects employee socializa
